3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid
TL;DR: 3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid (CAS 10322-18-6) is a chemical compound with molecular formula C24H40O5 and molecular weight 408.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(3S,5S,7S,8R,9S,10S,12S,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: ursocholic acid, Isoursocholic acid, Isoursodeoxycholic acid, 3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid, 3b,7b,12a-Trihydroxy-5b-cholanate
| Molecular Formula | C24H40O5 |
|---|---|
| Molecular Weight | 408.29 g/mol |
| LogP | 3.4487 |
| Topological Polar Surface Area | 97.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.28757 |
| Heavy Atoms | 29 |
| Complexity | 636.76056 |
Chemical Identifiers
| CAS Number | 10322-18-6 |
|---|---|
| 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 |
Product Overview
3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid (CAS 10322-18-6), with molecular formula C24H40O5 and molecular weight 408.29 g/mol. IUPAC: (4R)-4-[(3S,5S,7S,8R,9S,10S,12S,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.
Chemical Property Profile of 3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid
Property Insights of 3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid
The XLogP value of 3.4487 indicates that 3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid. Following Lipinski's Rule of Five, 3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid has 4 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 3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid?
The CAS number of 3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid is 10322-18-6.
What is the molecular formula of 3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid?
The molecular formula of 3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid is C24H40O5.
What is the molecular weight of 3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid?
The molecular weight of 3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid is 408.29 g/mol.
Where can I buy 3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid?
You can request a quote for 3beta,7beta,12alpha-Trihydroxy-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 3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3beta,7beta,12alpha-Trihydroxy-5beta-cholan-24-oic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.