8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1
TL;DR: 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1 (CAS 789-03-7) is a chemical compound with molecular formula C19H15ClO9 and molecular weight 422.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-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-4-yl) 2-chloroacetate
Also Known As: 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1, 8-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]chromen-9-yl chloroacetate, 8-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-9-yl chloroacetate, Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,8,9,9a-hexahydro-8,9-dihydroxy-4-methoxy-, chloroacetate
| Molecular Formula | C19H15ClO9 |
|---|---|
| Molecular Weight | 422.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.04047 |
| Heavy Atoms | 29 |
| Complexity | 795.0 |
Chemical Identifiers
| CAS Number | 789-03-7 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C(C(OC5OC4=C1)O)OC(=O)CCl |
| InChIKey | PZJDDIRXYRNDJT-UHFFFAOYSA-N |
Product Overview
8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1 (CAS 789-03-7), with molecular formula C19H15ClO9 and molecular weight 422.04 g/mol. IUPAC: (5-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-4-yl) 2-chloroacetate.
Chemical Property Profile of 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1
Property Insights of 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1. Following Lipinski's Rule of Five, 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin 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-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1?
The CAS number of 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1 is 789-03-7.
What is the molecular formula of 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1?
The molecular formula of 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1 is C19H15ClO9.
What is the molecular weight of 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1?
The molecular weight of 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1 is 422.04 g/mol.
Where can I buy 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1?
You can request a quote for 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloroacetoxy-9-hydroxy-8,9-dihydro-aflatoxin B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.