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11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid
11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid
Structure
![Skeletal structure of 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid (CAS 2136287-68-6)](https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?cid=145705685&t=l)
Identifiers
CAS:
2136287-68-6IUPAC name: 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid
Formula:
C23H31N3O7SMW: 493.6 g/mol
Structural identifiers
SMILES: CCCCCCOC1=C2C(=O)N3CCOCC3NN2C=CC1=O.CC1=CC=C(C=C1)S(=O)(=O)O
InChIKey: OCQDJEPSCCHLKH-UHFFFAOYSA-N
InChI: InChI=1S/C16H23N3O4.C7H8O3S/c1-2-3-4-5-9-23-15-12(20)6-7-19-14(15)16(21)18-8-10-22-11-13(18)17-19;1-6-2-4-7(5-3-6)11(8,9)10/h6-7,13,17H,2-5,8-11H2,1H3;2-5H,1H3,(H,8,9,10)
Specifications
Commercial
Inventory: to order
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Computed descriptors aggregated from PubChem for CAS 2136287-68-6.
| Complexity | 750 |
|---|---|
| Exact mass | 493.18827151 g/mol |
| Formal charge | 0 |
| Heavy atom count | 34 |
| Monoisotopic mass | 493.18827151 g/mol |
| H-bond donor count | 2 |
| Rotatable bond count | 7 |
| H-bond acceptor count | 9 |
| Topological polar surface area (TPSA) | 134 Ų |
China regulatory compliance
Not listed in hazardous / restricted catalogues
Sourcing & suppliers — 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid
Grounded in ChemExact's verified supplier and document records. Sourcing questions are answered with ChemExact's own network — not third-party marketplaces.
Who supplies 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid in China?
No verified supplier has signed for 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid (CAS 2136287-68-6) yet — it's in ChemExact's inquiry pool. Submit a request and our team returns 3+ comparative quotes within 48–72h, each with a COA and batch traceability.
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A batch-specific Certificate of Analysis ships with every 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid (CAS 2136287-68-6) order. Request the latest COA through ChemExact — every quote includes a COA and batch traceability.
Frequently asked questions
Curated by ChemExact's editorial team and reviewed by chemistry and API procurement specialists. Each factual claim is traceable to the cross-source citation graph at the bottom of the page.
What is 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid (CAS 2136287-68-6)?
11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid is a chemical compound with molecular formula C23H31N3O7S and molecular weight ≈ 493.60 g/mol. Its CAS Registry Number is 2136287-68-6.
What chemical does CAS 2136287-68-6 refer to?
CAS Registry Number 2136287-68-6 refers to 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid, molecular formula C23H31N3O7S, molecular weight ≈ 493.60 g/mol. The CAS number is verifiable on PubChem, CAS Common Chemistry and ECHA. To source 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid, submit an RFQ on this page to be matched with ChemExact's verified supplier network, with batch COAs.
What is the molecular formula and weight of 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid (CAS 2136287-68-6)?
The molecular formula of 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid is C23H31N3O7S, and the molecular weight is 493.60 g/mol. This data has been cross-verified against PubChem, ChEMBL and CAS Common Chemistry.
What are the SMILES and InChIKey of 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid?
The canonical SMILES of 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid is `CCCCCCOC1=C2C(=O)N3CCOCC3NN2C=CC1=O.CC1=CC=C(C=C1)S(=O)(=O)O`, and the InChIKey is `OCQDJEPSCCHLKH-UHFFFAOYSA-N`. These international identifiers are reusable in PubChem, ChemDraw, RDKit and most cheminformatics toolchains.
What are the common synonyms of 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid?
Common synonyms of 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid include: 2136287-68-6, (12aR)-7-(hexyloxy)-3,4,12,12a-tetrahydro-1H-[1,4]Oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione 4-methylbenzenesulfonate, Baloxavir Impurity 113, Baloxavir Impurity 121, 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid. The full list (sourced from PubChem) is available in the page header under "Show synonyms".
What is the current price of 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid (CAS 2136287-68-6)?
ChemExact does not publish public price lists for 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid. No verified supplier has linked this SKU yet — submit an RFQ below and our BD team will return 3+ comparative quotes within 48–72 hours, each with batch traceability and a COA. For background market context only (non-binding), industry bulletins such as ICIS or national commodity indices may be consulted independently.
How has 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid price trended recently?
11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid pricing follows upstream feedstocks, export demand, and plant turnaround cycles. ChemExact does not quote spot indices on this page. For a procurement decision, submit an RFQ — suppliers respond with current lot pricing and lead time. Independent market bulletins (ICIS, national commodity indices) may be used only as non-binding background reference.
Who are the major manufacturers of 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid in China?
China-based manufacturers of 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid (CAS 2136287-68-6) are matched on demand by the ChemExact business team. Submit an RFQ or contact bd@chemexact.com — a BD advisor will shortlist candidates from regulated directories (e.g. China MEM hazardous-chemicals registration at https://whpdj.mem.gov.cn/) with full provenance on each dossier. Supplier discovery is handled through ChemExact's verified network, not third-party marketplaces.
Which suppliers in East / North / South China stock 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid?
Regional supply of 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid (CAS 2136287-68-6) is matched on demand through ChemExact's own verified network. Submit an RFQ stating your target region (East / North / South China), or reach the ChemExact business team at bd@chemexact.com — a BD advisor will match verified producers from regulated enterprise registries and return comparable quotes with COAs. When ChemExact's geo-browse directory is enabled, city-level supplier pages list credentials and last review dates.
Who are the largest global producers of 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid?
International supply of 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid (CAS 2136287-68-6) is arranged by the ChemExact business team based on export credentials. Submit an RFQ or contact bd@chemexact.com — a BD advisor will match qualified exporters and return batch COAs, trade terms, and Incoterms. For regulatory due diligence, consult ECHA REACH (CAS 2136287-68-6), US EPA CompTox, or Japan NITE — these are compliance references, not procurement marketplaces.
What grades of 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid are commercially available?
11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid is typically supplied in the following grades: Industrial / Technical (≥ 99%, bulk feedstock), Reagent (AR/CP/GR, ≥ 99.5%, lab analytics), HPLC / GC (≥ 99.9%, chromatography & spectroscopy). Grade-specific specs are confirmed via the supplier's SDS and CoA. ChemExact lets verified suppliers attach hash-validated CoA/SDS files on their brand product pages.
Where can I download the SDS / MSDS for 11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid (CAS 2136287-68-6)?
Authoritative SDS sources: ① PubChem 'Safety and Hazards' section — https://pubchem.ncbi.nlm.nih.gov/compound/145705685; ② US NIH Hazardous Substances Data Bank (HSDB); ③ ECHA REACH dossier; ④ Supplier-attached SDS on verified ChemExact brand pages. ChemExact does not host SDS files directly (to avoid version drift); all SDS links route to source.
Authoritative external references
Every chemistry property, compliance flag and literature claim on this page is traceable to the authoritative external sources below. Click any link to verify on the publishing institution's original page.
- ChEMBL · CHEMBL3659236 ↗ — EMBL-EBI · ChEMBL
- NIST WebBook · Registry Number Not Found ↗ — NIST · Standard Reference Data Program
- OpenAlex papers ↗ — OurResearch · OpenAlex
- China compliance (IECSC) ↗ — MEE · China IECSC
- PubChem Classification · CID 145705685 ↗ — National Library of Medicine · PubChem
- PubChem PUG-View · CID 145705685 ↗ — National Library of Medicine · PubChem
- PubChem · CID 145705685 ↗ — National Library of Medicine · PubChem
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the cited literature — is reconciled against internationally recognised authorities (including but not limited to
PubChem, CAS Common Chemistry, ECHA, China MEM, ChEMBL and OpenAlex) and cross-checked by our editors.
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Disclaimer: This page is intended as a procurement-side technical reference and does not constitute legal, regulatory, or medical advice. Lot-level conformity is determined by the supplier-signed CoA and SDS. Transport, storage and handling must follow the applicable jurisdictional regulations and product SDS. If you spot a discrepancy with an authoritative source, please contact our editorial team — we review correction requests within five business days.
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11-hexoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione;4-methylbenzenesulfonic acid (CAS 2136287-68-6) — 24h BD response, 48–72h comparative quotes from verified suppliers worldwide.
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