(3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-24-oic acid
TL;DR: (3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-24-oic acid (CAS 81938-67-2) 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-[(3R,5S,7S,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: ursocholic acid, Cholic Acid Impurity 5, 3a,7b,12b-Trihydroxy-5b-cholanoic acid, -3,7,12-trihydroxy-Cholan-24-oicacid, 3a,7b,12b-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 | 81938-67-2 |
|---|---|
| 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
(3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-24-oic acid (CAS 81938-67-2), with molecular formula C24H40O5 and molecular weight 408.29 g/mol. IUPAC: (4R)-4-[(3R,5S,7S,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.
Chemical Property Profile of (3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-24-oic acid
Property Insights of (3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-24-oic acid
The XLogP value of 3.4487 indicates that (3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-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 (3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-24-oic acid. Following Lipinski's Rule of Five, (3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-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 (3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-24-oic acid?
The CAS number of (3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-24-oic acid is 81938-67-2.
What is the molecular formula of (3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-24-oic acid?
The molecular formula of (3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-24-oic acid is C24H40O5.
What is the molecular weight of (3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-24-oic acid?
The molecular weight of (3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-24-oic acid is 408.29 g/mol.
Where can I buy (3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-24-oic acid?
You can request a quote for (3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-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 (3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-24-oic acid?
Yes, KEHONG BIO provides custom synthesis services for (3alpha,5beta,7beta,12beta)-3,7,12-Trihydroxycholan-24-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.