Aflatoxin B2A
TL;DR: Aflatoxin B2A (CAS 17878-54-5) is a chemical compound with molecular formula C17H14O7 and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,7S)-5-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
Also Known As: Aflatoxin B2A, Dihydrohydroxyaflatoxin B1, Aflatoxin B1, hemiacetal, Aflatoxin B1, dihydrohydroxy-, (-)-AFLATOXIN B2A
| Molecular Formula | C17H14O7 |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.07394 |
| Heavy Atoms | 24 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 17878-54-5 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C[C@@H](O[C@@H]5OC4=C1)O |
| InChIKey | PFQSKXVNBUHPIW-AUWAXLAASA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aflatoxin B2A (CAS 17878-54-5), with molecular formula C17H14O7 and molecular weight 330.07 g/mol. IUPAC: (3S,5R,7S)-5-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione.
Chemical Property Profile of Aflatoxin B2A
Property Insights of Aflatoxin B2A
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aflatoxin B2A. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Aflatoxin B2A. Following Lipinski's Rule of Five, Aflatoxin B2A has 1 hydrogen bond donor(s) and 7 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 B2A?
The CAS number of Aflatoxin B2A is 17878-54-5.
What is the molecular formula of Aflatoxin B2A?
The molecular formula of Aflatoxin B2A is C17H14O7.
What is the molecular weight of Aflatoxin B2A?
The molecular weight of Aflatoxin B2A is 330.07 g/mol.
Where can I buy Aflatoxin B2A?
You can request a quote for Aflatoxin B2A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aflatoxin B2A?
Yes, KEHONG BIO provides custom synthesis services for Aflatoxin B2A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.