AF toxin I
TL;DR: AF toxin I (CAS 108102-61-0) is a chemical compound with molecular formula C22H32O9 and molecular weight 440.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4E,6E)-8-[2-(2,3-dihydroxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
Also Known As: AF toxin I, (2E,4E,6E)-8-[2-(2,3-dihydroxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
| Molecular Formula | C22H32O9 |
|---|---|
| Molecular Weight | 440.20 g/mol |
| LogP | 1.53 |
| Topological Polar Surface Area | 142.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 440.20462 |
| Heavy Atoms | 31 |
| Complexity | 725.75385 |
Chemical Identifiers
| CAS Number | 108102-61-0 |
|---|---|
| SMILES | CCC(C)C(C(=O)OC(/C=C/C=C/C=C/C(=O)O)C1(CO1)C)OC(=O)C(C(C)(C)O)O |
Product Overview
AF toxin I (CAS 108102-61-0), with molecular formula C22H32O9 and molecular weight 440.20 g/mol. IUPAC: (2E,4E,6E)-8-[2-(2,3-dihydroxy-3-methylbutanoyl)oxy-3-methylpentanoyl]oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid.
Chemical Property Profile of AF toxin I
Property Insights of AF toxin I
The XLogP value of 1.53 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF toxin I. The TPSA of 142.89 Ų indicates high polarity, suggesting AF toxin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AF toxin I has 3 hydrogen bond donor(s) and 8 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 AF toxin I?
The CAS number of AF toxin I is 108102-61-0.
What is the molecular formula of AF toxin I?
The molecular formula of AF toxin I is C22H32O9.
What is the molecular weight of AF toxin I?
The molecular weight of AF toxin I is 440.20 g/mol.
Where can I buy AF toxin I?
You can request a quote for AF toxin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF toxin I?
Yes, KEHONG BIO provides custom synthesis services for AF toxin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.