12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid
TL;DR: 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid (CAS 136892-43-8) 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-[(5R,8R,9S,10S,12R,13R,14S,17R)-12-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: 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid, 12beta-Hydroxy-3-oxo-5beta-cholanoic acid, 3-Keto-12-hydroxy-cholansaeure, 12-hydroxy-3-oxocholan-24-oic acid, Cholan-24-oic acid, 12-hydroxy-3-oxo-, (5beta,12beta)-
Technical Specifications
| Molecular Formula | C24H38O4 |
| Molecular Weight | 390.277 g/mol |
| XLogP | 4.5 |
| 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([C@@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)O)C |
| InChIKey | WMUMZOAFCDOTRW-RXTDITKTSA-N |
Chemical Property Profile of 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid
Property Insights of 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid
The XLogP value of 4.5 indicates that 12beta-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 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid. Following Lipinski's Rule of Five, 12beta-Hydroxy-3-oxo-5beta-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 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid?
The CAS number of 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid is 136892-43-8.
What is the molecular formula of 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid?
The molecular formula of 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid is C24H38O4.
What is the molecular weight of 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid?
The molecular weight of 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid is 390.277 g/mol.
Where can I buy 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid?
You can request a quote for 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid?
Yes, CoreyChem provides custom synthesis services for 12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.