3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid
TL;DR: 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid (CAS 16030-92-5) 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,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: Cholic Acid Impurity 24, 3beta,5alpha,6beta-trihydroxycholanic acid, 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid, A,5, A,6
| Molecular Formula | C24H40O5 |
|---|---|
| Molecular Weight | 408.29 g/mol |
| LogP | 3.5928 |
| 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 | 651.18225 |
Chemical Identifiers
| CAS Number | 16030-92-5 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C |
Product Overview
3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid (CAS 16030-92-5), with molecular formula C24H40O5 and molecular weight 408.29 g/mol. IUPAC: (4R)-4-[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid
Property Insights of 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid
The XLogP value of 3.5928 indicates that 3beta,5alpha,6beta-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 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid. Following Lipinski's Rule of Five, 3beta,5alpha,6beta-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 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid?
The CAS number of 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid is 16030-92-5.
What is the molecular formula of 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid?
The molecular formula of 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid is C24H40O5.
What is the molecular weight of 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid?
The molecular weight of 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid is 408.29 g/mol.
Where can I buy 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid?
You can request a quote for 3beta,5alpha,6beta-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 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.