Aflatoxin B1 9-chloride
TL;DR: Aflatoxin B1 9-chloride (CAS 64398-29-4) is a chemical compound with molecular formula C17H13ClO7 and molecular weight 364.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-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 B1 9-chloride, Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,8,9,9a-hexahydro-9-chloro-8-hydroxy-4-methoxy-, 9-Chloro-8-hydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione,9-chloro-2,3,6a,8,9,9a-hexahydro-8-hydroxy-4-methoxy-
| Molecular Formula | C17H13ClO7 |
|---|---|
| Molecular Weight | 364.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 364.03497 |
| Heavy Atoms | 25 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 64398-29-4 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C(C(OC5OC4=C1)O)Cl |
| InChIKey | PERVHTWSYVCZLN-UHFFFAOYSA-N |
Product Overview
Aflatoxin B1 9-chloride (CAS 64398-29-4), with molecular formula C17H13ClO7 and molecular weight 364.03 g/mol. IUPAC: 4-chloro-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 B1 9-chloride
Property Insights of Aflatoxin B1 9-chloride
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aflatoxin B1 9-chloride. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Aflatoxin B1 9-chloride. Following Lipinski's Rule of Five, Aflatoxin B1 9-chloride 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 B1 9-chloride?
The CAS number of Aflatoxin B1 9-chloride is 64398-29-4.
What is the molecular formula of Aflatoxin B1 9-chloride?
The molecular formula of Aflatoxin B1 9-chloride is C17H13ClO7.
What is the molecular weight of Aflatoxin B1 9-chloride?
The molecular weight of Aflatoxin B1 9-chloride is 364.03 g/mol.
Where can I buy Aflatoxin B1 9-chloride?
You can request a quote for Aflatoxin B1 9-chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aflatoxin B1 9-chloride?
Yes, KEHONG BIO provides custom synthesis services for Aflatoxin B1 9-chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.