2,3-Epoxyaflatoxin B1
TL;DR: 2,3-Epoxyaflatoxin B1 (CAS 42583-46-0) is a chemical compound with molecular formula C17H12O7 and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R,6S,8S)-12-methoxy-5,7,9,20-tetraoxahexacyclo[11.7.0.02,10.03,8.04,6.014,18]icosa-1,10,12,14(18)-tetraene-17,19-dione
Also Known As: 2,3-Epoxyaflatoxin B1, AFB epoxide, Aflatoxin B1 epoxide, Aflatoxin B1-2,3-oxide, Aflatoxin B1 2,3-epoxide
| Molecular Formula | C17H12O7 |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.0583 |
| Heavy Atoms | 24 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 42583-46-0 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5[C@@H]6[C@@H](O6)O[C@@H]5OC4=C1 |
| InChIKey | KHBXRZGALJGBPA-IRWJRLHMSA-N |
Product Overview
2,3-Epoxyaflatoxin B1 (CAS 42583-46-0), with molecular formula C17H12O7 and molecular weight 328.06 g/mol. IUPAC: (3R,4R,6S,8S)-12-methoxy-5,7,9,20-tetraoxahexacyclo[11.7.0.02,10.03,8.04,6.014,18]icosa-1,10,12,14(18)-tetraene-17,19-dione.
Chemical Property Profile of 2,3-Epoxyaflatoxin B1
Property Insights of 2,3-Epoxyaflatoxin B1
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Epoxyaflatoxin B1. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Epoxyaflatoxin B1. Following Lipinski's Rule of Five, 2,3-Epoxyaflatoxin B1 has 0 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 2,3-Epoxyaflatoxin B1?
The CAS number of 2,3-Epoxyaflatoxin B1 is 42583-46-0.
What is the molecular formula of 2,3-Epoxyaflatoxin B1?
The molecular formula of 2,3-Epoxyaflatoxin B1 is C17H12O7.
What is the molecular weight of 2,3-Epoxyaflatoxin B1?
The molecular weight of 2,3-Epoxyaflatoxin B1 is 328.06 g/mol.
Where can I buy 2,3-Epoxyaflatoxin B1?
You can request a quote for 2,3-Epoxyaflatoxin B1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Epoxyaflatoxin B1?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Epoxyaflatoxin B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.