Dibromoaflatoxin
TL;DR: Dibromoaflatoxin (CAS 107022-05-9) is a chemical compound with molecular formula C17H10Br2O6 and molecular weight 467.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,7S)-4,5-dibromo-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
Also Known As: Dibromoaflatoxin, Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 8,9-dibromo-2,3,6a,9a-tetrahydro-4-methoxy-, (6aS-cis)-, 8,9-Dibromo-2,3,6a,9a-tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione (6aS-cis)-, (6aS,9aS)-8,9-Dibromo-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione, 8,9-Dibromo-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione
| Molecular Formula | C17H10Br2O6 |
|---|---|
| Molecular Weight | 467.88 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 467.8844 |
| Heavy Atoms | 25 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 107022-05-9 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@H]5[C@@H](OC4=C1)OC(=C5Br)Br |
| InChIKey | UPNBFOURBHJQDH-PXAZEXFGSA-N |
Product Overview
Dibromoaflatoxin (CAS 107022-05-9), with molecular formula C17H10Br2O6 and molecular weight 467.88 g/mol. IUPAC: (3S,7S)-4,5-dibromo-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione.
Chemical Property Profile of Dibromoaflatoxin
Property Insights of Dibromoaflatoxin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibromoaflatoxin. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibromoaflatoxin. Following Lipinski's Rule of Five, Dibromoaflatoxin 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 Dibromoaflatoxin?
The CAS number of Dibromoaflatoxin is 107022-05-9.
What is the molecular formula of Dibromoaflatoxin?
The molecular formula of Dibromoaflatoxin is C17H10Br2O6.
What is the molecular weight of Dibromoaflatoxin?
The molecular weight of Dibromoaflatoxin is 467.88 g/mol.
Where can I buy Dibromoaflatoxin?
You can request a quote for Dibromoaflatoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibromoaflatoxin?
Yes, KEHONG BIO provides custom synthesis services for Dibromoaflatoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.