Aflatoxicol M1
TL;DR: Aflatoxicol M1 (CAS 64330-03-6) is a chemical compound with molecular formula C17H14O7 and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,7S)-3,16-dihydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-18-one
Also Known As: Aflatoxicol M1, 4-hydroxyaflatoxicol, (3S,7S)-3,16-dihydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-18-one, Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-11(1H)-one, 2,3,6a,9a-tetrahydro-1,9a-dihydroxy-4-methoxy-, (6aR-cis)-, (6aS,9aS)-1,9a-Dihydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-11(1H)-one
| Molecular Formula | C17H14O7 |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.07394 |
| Heavy Atoms | 24 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 64330-03-6 |
|---|---|
| SMILES | COC1=C2C3=C(C(CC3)O)C(=O)OC2=C4C(=C1)O[C@H]5[C@@]4(C=CO5)O |
| InChIKey | NLHNZVNQOLJZSI-QFVXZBARSA-N |
Product Overview
Aflatoxicol M1 (CAS 64330-03-6), with molecular formula C17H14O7 and molecular weight 330.07 g/mol. IUPAC: (3S,7S)-3,16-dihydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-18-one.
Chemical Property Profile of Aflatoxicol M1
Property Insights of Aflatoxicol M1
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aflatoxicol M1. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Aflatoxicol M1. Following Lipinski's Rule of Five, Aflatoxicol M1 has 2 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 Aflatoxicol M1?
The CAS number of Aflatoxicol M1 is 64330-03-6.
What is the molecular formula of Aflatoxicol M1?
The molecular formula of Aflatoxicol M1 is C17H14O7.
What is the molecular weight of Aflatoxicol M1?
The molecular weight of Aflatoxicol M1 is 330.07 g/mol.
Where can I buy Aflatoxicol M1?
You can request a quote for Aflatoxicol M1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aflatoxicol M1?
Yes, KEHONG BIO provides custom synthesis services for Aflatoxicol M1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.