3-Hydroxy-12-oxocholan-24-oic acid
TL;DR: 3-Hydroxy-12-oxocholan-24-oic acid (CAS 4650-88-8) is a chemical compound with molecular formula C24H38O4 and molecular weight 390.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
Also Known As: 12-Ketolithocholic acid, 3-Hydroxy-12-oxocholan-24-oic acid, 3beta-Hydroxy-12-oxo-5beta-cholanoic acid, Cholan-24-oic acid, (3.beta.,5.beta.)-, Cholan-24-oic acid, 3-hydroxy-12-oxo-, (3.beta.,5.beta.)-
| Molecular Formula | C24H38O4 |
|---|---|
| Molecular Weight | 390.28 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.277 |
| Heavy Atoms | 28 |
| Complexity | 645.0 |
Chemical Identifiers
| CAS Number | 4650-88-8 |
|---|---|
| SMILES | CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2CCC4C3(CCC(C4)O)C)C |
| InChIKey | CVNYHSDFZXHMMJ-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-12-oxocholan-24-oic acid (CAS 4650-88-8), with molecular formula C24H38O4 and molecular weight 390.28 g/mol. IUPAC: 4-(3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid.
Chemical Property Profile of 3-Hydroxy-12-oxocholan-24-oic acid
Property Insights of 3-Hydroxy-12-oxocholan-24-oic acid
The XLogP value of 4.6 indicates that 3-Hydroxy-12-oxocholan-24-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-12-oxocholan-24-oic acid. Following Lipinski's Rule of Five, 3-Hydroxy-12-oxocholan-24-oic acid has 2 hydrogen bond donor(s) and 4 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 3-Hydroxy-12-oxocholan-24-oic acid?
The CAS number of 3-Hydroxy-12-oxocholan-24-oic acid is 4650-88-8.
What is the molecular formula of 3-Hydroxy-12-oxocholan-24-oic acid?
The molecular formula of 3-Hydroxy-12-oxocholan-24-oic acid is C24H38O4.
What is the molecular weight of 3-Hydroxy-12-oxocholan-24-oic acid?
The molecular weight of 3-Hydroxy-12-oxocholan-24-oic acid is 390.28 g/mol.
Where can I buy 3-Hydroxy-12-oxocholan-24-oic acid?
You can request a quote for 3-Hydroxy-12-oxocholan-24-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-12-oxocholan-24-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-12-oxocholan-24-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.