Aflatoxicol
TL;DR: Aflatoxicol (CAS 29611-03-8) is a chemical compound with molecular formula C17H14O6 and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,7R,16S)-16-hydroxy-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, Aflatoxin Ro, Aflatoxin R0, aflatoxin R, Aflatoxicol natural epimer
| Molecular Formula | C17H14O6 |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.07904 |
| Heavy Atoms | 23 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 29611-03-8 |
|---|---|
| SMILES | COC1=C2C3=C([C@H](CC3)O)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1 |
| InChIKey | WYIWLDSPNDMZIT-IRWWLHRVSA-N |
Product Overview
Aflatoxicol (CAS 29611-03-8), with molecular formula C17H14O6 and molecular weight 314.08 g/mol. IUPAC: (3S,7R,16S)-16-hydroxy-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
Property Insights of Aflatoxicol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aflatoxicol. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Aflatoxicol. Following Lipinski's Rule of Five, Aflatoxicol has 1 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 Aflatoxicol?
The CAS number of Aflatoxicol is 29611-03-8.
What is the molecular formula of Aflatoxicol?
The molecular formula of Aflatoxicol is C17H14O6.
What is the molecular weight of Aflatoxicol?
The molecular weight of Aflatoxicol is 314.08 g/mol.
Where can I buy Aflatoxicol?
You can request a quote for Aflatoxicol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aflatoxicol?
Yes, KEHONG BIO provides custom synthesis services for Aflatoxicol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.