Vulpecholic acid
TL;DR: Vulpecholic acid (CAS 107368-95-6) is a chemical compound with molecular formula C24H40O5 and molecular weight 408.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Vulpecholic acid
(4R)-4-[(1S,3S,5S,7R,8S,9S,10S,13R,14S,17S)-1,3,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: Vulpecholic acid, 1,3,7-trihydroxycholan-24-oic acid, 1alpha,3alpha,7alpha-Trihydroxy-5beta-cholan-24-oic acid, (4R)-4-[(1S,3S,5S,7R,8S,9S,10S,13R,14S,17S)-1,3,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid, 1alpha,3alpha,7alpha-Trihydroxy-5beta,17alpha-cholan-24-oic acid
| Molecular Formula | C24H40O5 |
|---|---|
| Molecular Weight | 408.29 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.28757 |
| Heavy Atoms | 29 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 107368-95-6 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3([C@H](C[C@H](C4)O)O)C)O)C |
| InChIKey | GYUVAHWOVINGNE-CMXSPKJJSA-N |
Product Overview
Vulpecholic acid (CAS 107368-95-6), with molecular formula C24H40O5 and molecular weight 408.29 g/mol. IUPAC: (4R)-4-[(1S,3S,5S,7R,8S,9S,10S,13R,14S,17S)-1,3,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of Vulpecholic acid
Property Insights of Vulpecholic acid
The XLogP value of 3.9 indicates that Vulpecholic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Vulpecholic acid. Following Lipinski's Rule of Five, Vulpecholic acid has 4 hydrogen bond donor(s) and 5 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 Vulpecholic acid?
The CAS number of Vulpecholic acid is 107368-95-6.
What is the molecular formula of Vulpecholic acid?
The molecular formula of Vulpecholic acid is C24H40O5.
What is the molecular weight of Vulpecholic acid?
The molecular weight of Vulpecholic acid is 408.29 g/mol.
Where can I buy Vulpecholic acid?
You can request a quote for Vulpecholic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vulpecholic acid?
Yes, KEHONG BIO provides custom synthesis services for Vulpecholic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.