3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid
TL;DR: 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid (CAS 105227-32-5) is a chemical compound with molecular formula C24H40O5 and molecular weight 408.28757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R)-4-[(3R,5S,7R,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: Lagocholic acid, Lagocholate, ursocholic acid, 12b-Hydroxyisocholate, 12b-Hydroxyisocholic acid
Technical Specifications
| Molecular Formula | C24H40O5 |
| Molecular Weight | 408.28757 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.28757 Da |
| Heavy Atoms | 29 |
| Complexity | 637.0 |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
| InChIKey | BHQCQFFYRZLCQQ-KRHHAYMPSA-N |
Chemical Property Profile of 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid
Property Insights of 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid
The XLogP value of 3.6 indicates that 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid. Following Lipinski's Rule of Five, 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid has 4 hydrogen bond donor(s) and 5 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,7alpha,12beta-Trihydroxy-5beta-cholanic acid?
The CAS number of 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid is 105227-32-5.
What is the molecular formula of 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid?
The molecular formula of 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid is C24H40O5.
What is the molecular weight of 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid?
The molecular weight of 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid is 408.28757 g/mol.
Where can I buy 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid?
You can request a quote for 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid?
Yes, CoreyChem provides custom synthesis services for 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.