Aflatoxin B2
TL;DR: Aflatoxin B2 (CAS 54593-31-6) is a chemical compound with molecular formula C17H14O6 and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,7R)-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 B2, Dihydroaflatoxin B1, Dihydroaflatoxine B1, Aflatoxin, aflatoxin-B(2)
| Molecular Formula | C17H14O6 |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 2.1529 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.07904 |
| Heavy Atoms | 23 |
| Complexity | 925.0511 |
Chemical Identifiers
| CAS Number | 54593-31-6 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5CCO[C@@H]5OC4=C1 |
Product Overview
Aflatoxin B2 (CAS 54593-31-6), with molecular formula C17H14O6 and molecular weight 314.08 g/mol. IUPAC: (3S,7R)-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 B2
Property Insights of Aflatoxin B2
The XLogP value of 2.1529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aflatoxin B2. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Aflatoxin B2. Following Lipinski's Rule of Five, Aflatoxin B2 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 B2?
The CAS number of Aflatoxin B2 is 54593-31-6.
What is the molecular formula of Aflatoxin B2?
The molecular formula of Aflatoxin B2 is C17H14O6.
What is the molecular weight of Aflatoxin B2?
The molecular weight of Aflatoxin B2 is 314.08 g/mol.
Where can I buy Aflatoxin B2?
You can request a quote for Aflatoxin B2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aflatoxin B2?
Yes, KEHONG BIO provides custom synthesis services for Aflatoxin B2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.