6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid
TL;DR: 6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid (CAS 67733-54-4) 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-[(5R,6S,8S,9S,10R,13R,14S,17R)-6-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: 6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid, Ursodeoxycholic acid impurity 61, Ursodeoxycholic Acid Impurity 116, (5b,6a)-6-Hydroxy-3-oxo-cholan-24-oic Acid, (5beta,6alpha)-6-Hydroxy-3-oxo-cholan-24-oic Acid
| Molecular Formula | C24H38O4 |
|---|---|
| Molecular Weight | 390.28 g/mol |
| LogP | 4.6861 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.277 |
| Heavy Atoms | 28 |
| Complexity | 644.5164 |
Chemical Identifiers
| CAS Number | 67733-54-4 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CCC(=O)C4)C)O)C |
Product Overview
6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid (CAS 67733-54-4), with molecular formula C24H38O4 and molecular weight 390.28 g/mol. IUPAC: (4R)-4-[(5R,6S,8S,9S,10R,13R,14S,17R)-6-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of 6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid
Property Insights of 6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid
The XLogP value of 4.6861 indicates that 6alpha-Hydroxy-3-oxo-5beta-cholan-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 6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid. Following Lipinski's Rule of Five, 6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid has 2 hydrogen bond donor(s) and 3 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 6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid?
The CAS number of 6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid is 67733-54-4.
What is the molecular formula of 6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid?
The molecular formula of 6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid is C24H38O4.
What is the molecular weight of 6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid?
The molecular weight of 6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid is 390.28 g/mol.
Where can I buy 6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid?
You can request a quote for 6alpha-Hydroxy-3-oxo-5beta-cholan-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 6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid?
Yes, KEHONG BIO provides custom synthesis services for 6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.