AFLATOXIN B1
TL;DR: AFLATOXIN B1 (CAS 1162-65-8) is a chemical compound with molecular formula C17H12O6 and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
Also Known As: AFLATOXIN B1, Aflatoxin, Aflatoxin B, aflatoxina B1, methoxy[?]dione
| Molecular Formula | C17H12O6 |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.0634 |
| Heavy Atoms | 23 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 1162-65-8 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1 |
| InChIKey | OQIQSTLJSLGHID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AFLATOXIN B1 (CAS 1162-65-8), with molecular formula C17H12O6 and molecular weight 312.06 g/mol. IUPAC: 11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione.
Chemical Property Profile of AFLATOXIN B1
Property Insights of AFLATOXIN B1
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AFLATOXIN B1. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AFLATOXIN B1. Following Lipinski's Rule of Five, AFLATOXIN B1 has 0 hydrogen bond donor(s) and 6 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 AFLATOXIN B1?
The CAS number of AFLATOXIN B1 is 1162-65-8.
What is the molecular formula of AFLATOXIN B1?
The molecular formula of AFLATOXIN B1 is C17H12O6.
What is the molecular weight of AFLATOXIN B1?
The molecular weight of AFLATOXIN B1 is 312.06 g/mol.
Where can I buy AFLATOXIN B1?
You can request a quote for AFLATOXIN B1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AFLATOXIN B1?
Yes, KEHONG BIO provides custom synthesis services for AFLATOXIN B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.