8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1
TL;DR: 8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1 (CAS 75084-20-7) is a chemical compound with molecular formula C19H13Cl3O9 and molecular weight 489.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4R,5S,7S)-4-hydroxy-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: 8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1, 1,2,3,6a,8,9,9a,11-Octahydro-9-hydroxy-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)bnezopyran-8-yl trichloroacetate (6aS-(6aalpha,8beta,9alpha,9aalpha))-, Acetic acid, trichloro-, 1,2,3,6a,8,9,9a,11-octahydro-9-hydroxy-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)bnezopyran-8-yl ester, (6aS-(6aalpha,8beta,9alpha,9aalpha))-, (6aS,8S,9R,9aR)-9-Hydroxy-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, 9-Hydroxy-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 | C19H13Cl3O9 |
|---|---|
| Molecular Weight | 489.96 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 489.96252 |
| Heavy Atoms | 31 |
| Complexity | 868.0 |
Chemical Identifiers
| CAS Number | 75084-20-7 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5[C@H]([C@@H](O[C@@H]5OC4=C1)OC(=O)C(Cl)(Cl)Cl)O |
| InChIKey | NLRLZWNYZDUDLQ-OMNBBPDLSA-N |
Product Overview
8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1 (CAS 75084-20-7), with molecular formula C19H13Cl3O9 and molecular weight 489.96 g/mol. IUPAC: [(3R,4R,5S,7S)-4-hydroxy-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 8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1
Property Insights of 8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1. Following Lipinski's Rule of Five, 8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1 has 1 hydrogen bond donor(s) and 9 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 8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1?
The CAS number of 8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1 is 75084-20-7.
What is the molecular formula of 8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1?
The molecular formula of 8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1 is C19H13Cl3O9.
What is the molecular weight of 8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1?
The molecular weight of 8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1 is 489.96 g/mol.
Where can I buy 8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1?
You can request a quote for 8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1?
Yes, KEHONG BIO provides custom synthesis services for 8-trichloroacetoxy-9-hydroxy-8,9-dihydroaflatoxin B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.