3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid
TL;DR: 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid (CAS 10573-17-8) is a chemical compound with molecular formula C24H38O4 and molecular weight 390.277 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R)-4-[(3R,5S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: allocholanic acid, 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid, KST-1A0467, 5alpha-Cholanic acid 3a-ol-6-one, 3a-hydroxy-6-keto-5a-cholanoic acid
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C24H38O4 |
| Molecular Weight | 390.277 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.277 Da |
| Heavy Atoms | 28 |
| Complexity | 645.0 |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC[C@H](C4)O)C)C |
| InChIKey | JWZBXKZZDYMDCJ-NYGMMZBPSA-N |
Chemical Property Profile of 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid
Property Insights of 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid
The XLogP value of 4.6 indicates that 3alpha-Hydroxy-6-oxo-5alpha-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 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid. Following Lipinski's Rule of Five, 3alpha-Hydroxy-6-oxo-5alpha-cholan-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
What is the CAS number of 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid?
The CAS number of 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid is 10573-17-8.
What is the molecular formula of 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid?
The molecular formula of 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid is C24H38O4.
What is the molecular weight of 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid?
The molecular weight of 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid is 390.277 g/mol.
Where can I buy 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid?
You can request a quote for 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid?
Yes, CoreyChem provides custom synthesis services for 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.