Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))-
TL;DR: Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))- (CAS 75084-30-9) is a chemical compound with molecular formula C19H13Cl3O8 and molecular weight 473.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,7S)-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl] 2,2,2-trichloroacetate
Also Known As: Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))-, (6aS,8S,9aS)-4-Methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl trichloroacetate, (6aS,8S,9aS)-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl trichloroacetate, 4-Methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl trichloroacetate
| Molecular Formula | C19H13Cl3O8 |
|---|---|
| Molecular Weight | 473.97 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 473.9676 |
| Heavy Atoms | 30 |
| Complexity | 836.0 |
Chemical Identifiers
| CAS Number | 75084-30-9 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C[C@@H](O[C@@H]5OC4=C1)OC(=O)C(Cl)(Cl)Cl |
| InChIKey | PHAMSUGDDUOCMC-FLMXLMKFSA-N |
Product Overview
Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))- (CAS 75084-30-9), with molecular formula C19H13Cl3O8 and molecular weight 473.97 g/mol. IUPAC: [(3S,5S,7S)-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl] 2,2,2-trichloroacetate.
Chemical Property Profile of Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))-
Property Insights of Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))-
The XLogP value of 3.2 indicates that Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))-. Following Lipinski's Rule of Five, Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))- has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))-?
The CAS number of Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))- is 75084-30-9.
What is the molecular formula of Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))-?
The molecular formula of Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))- is C19H13Cl3O8.
What is the molecular weight of Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))-?
The molecular weight of Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))- is 473.97 g/mol.
Where can I buy Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))-?
You can request a quote for Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl ester, (6aS-(6aalpha,8beta,9aalpha))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.