Aflatoxin B1 2,3-dichloride
TL;DR: Aflatoxin B1 2,3-dichloride (CAS 58209-98-6) is a chemical compound with molecular formula C17H12Cl2O6 and molecular weight 382.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R,5S,7S)-4,5-dichloro-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 B1 dichloride, Aflatoxin B1 2,3-dichloride, Aflatoxin B1-2,3-dichloride, 2,3-Dichloroaflatoxin B(sub 1), KST-1A6383
| Molecular Formula | C17H12Cl2O6 |
|---|---|
| Molecular Weight | 382.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 382.0011 |
| Heavy Atoms | 25 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 58209-98-6 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5[C@H]([C@@H](O[C@@H]5OC4=C1)Cl)Cl |
| InChIKey | SHIWCSLVBGROOU-SMKXDYDZSA-N |
Product Overview
Aflatoxin B1 2,3-dichloride (CAS 58209-98-6), with molecular formula C17H12Cl2O6 and molecular weight 382.00 g/mol. IUPAC: (3S,4R,5S,7S)-4,5-dichloro-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 B1 2,3-dichloride
Property Insights of Aflatoxin B1 2,3-dichloride
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aflatoxin B1 2,3-dichloride. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Aflatoxin B1 2,3-dichloride. Following Lipinski's Rule of Five, Aflatoxin B1 2,3-dichloride 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 2,3-dichloride?
The CAS number of Aflatoxin B1 2,3-dichloride is 58209-98-6.
What is the molecular formula of Aflatoxin B1 2,3-dichloride?
The molecular formula of Aflatoxin B1 2,3-dichloride is C17H12Cl2O6.
What is the molecular weight of Aflatoxin B1 2,3-dichloride?
The molecular weight of Aflatoxin B1 2,3-dichloride is 382.00 g/mol.
Where can I buy Aflatoxin B1 2,3-dichloride?
You can request a quote for Aflatoxin B1 2,3-dichloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aflatoxin B1 2,3-dichloride?
Yes, KEHONG BIO provides custom synthesis services for Aflatoxin B1 2,3-dichloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.