Aflatoxin B1-dibromid
TL;DR: Aflatoxin B1-dibromid (CAS 73096-42-1) is a chemical compound with molecular formula C17H12Br2O6 and molecular weight 469.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R,5S,7S)-4,5-dibromo-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-dibromid, Aflatoxin-B(1)-dibromid, KST-1A7923, (6as,8s,9r,9as)-8,9-dibromo-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione, (6aS,8S,9R,9aS)-8,9-Dibromo-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta(c)furo(3',2':4,5)furo(2,3-h)chromene-1,11-dione
| Molecular Formula | C17H12Br2O6 |
|---|---|
| Molecular Weight | 469.90 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 469.90005 |
| Heavy Atoms | 25 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 73096-42-1 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5[C@H]([C@@H](O[C@@H]5OC4=C1)Br)Br |
| InChIKey | FNRXIIANVPJPRL-SMKXDYDZSA-N |
Product Overview
Aflatoxin B1-dibromid (CAS 73096-42-1), with molecular formula C17H12Br2O6 and molecular weight 469.90 g/mol. IUPAC: (3S,4R,5S,7S)-4,5-dibromo-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-dibromid
Property Insights of Aflatoxin B1-dibromid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aflatoxin B1-dibromid. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Aflatoxin B1-dibromid. Following Lipinski's Rule of Five, Aflatoxin B1-dibromid 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-dibromid?
The CAS number of Aflatoxin B1-dibromid is 73096-42-1.
What is the molecular formula of Aflatoxin B1-dibromid?
The molecular formula of Aflatoxin B1-dibromid is C17H12Br2O6.
What is the molecular weight of Aflatoxin B1-dibromid?
The molecular weight of Aflatoxin B1-dibromid is 469.90 g/mol.
Where can I buy Aflatoxin B1-dibromid?
You can request a quote for Aflatoxin B1-dibromid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aflatoxin B1-dibromid?
Yes, KEHONG BIO provides custom synthesis services for Aflatoxin B1-dibromid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.