7-Ketolithocholic acid
TL;DR: 7-Ketolithocholic acid (CAS 863239-59-2) 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.
(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: 7-Ketolithocholic acid, Nutriacholic acid, 7-Oxolithocholic acid, 3alpha-Hydroxy-7-oxo-5beta-cholanic acid, Obeticholic acid A
| 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 | 863239-59-2 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)C |
| InChIKey | DXOCDBGWDZAYRQ-AURDAFMXSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Ketolithocholic acid (CAS 863239-59-2), with molecular formula C24H38O4 and molecular weight 390.28 g/mol. IUPAC: (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of 7-Ketolithocholic acid
Property Insights of 7-Ketolithocholic acid
The XLogP value of 4.6 indicates that 7-Ketolithocholic 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 7-Ketolithocholic acid. Following Lipinski's Rule of Five, 7-Ketolithocholic 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 7-Ketolithocholic acid?
The CAS number of 7-Ketolithocholic acid is 863239-59-2.
What is the molecular formula of 7-Ketolithocholic acid?
The molecular formula of 7-Ketolithocholic acid is C24H38O4.
What is the molecular weight of 7-Ketolithocholic acid?
The molecular weight of 7-Ketolithocholic acid is 390.28 g/mol.
Where can I buy 7-Ketolithocholic acid?
You can request a quote for 7-Ketolithocholic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Ketolithocholic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Ketolithocholic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.