1beta-Hydroxycholic acid
TL;DR: 1beta-Hydroxycholic acid (CAS 80875-94-1) is a chemical compound with molecular formula C24H40O6 and molecular weight 424.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(1R,3S,5S,7R,8S,9S,10S,12S,13R,14S,17R)-1,3,7,12-tetrahydroxy-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: 1beta-Hydroxycholic acid, 1b-Hydroxycholate, 1b-Hydroxycholic acid, 1I(2)-Hydroxycholic acid, 1,3,7,12-Tetrahydroxycholanoic acid
| Molecular Formula | C24H40O6 |
|---|---|
| Molecular Weight | 424.28 g/mol |
| LogP | 2.4195 |
| Topological Polar Surface Area | 118.22 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.2825 |
| Heavy Atoms | 30 |
| Complexity | 668.0816 |
Chemical Identifiers
| CAS Number | 80875-94-1 |
|---|---|
| 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([C@@H](C[C@H](C4)O)O)C)O)O)C |
Product Overview
1beta-Hydroxycholic acid (CAS 80875-94-1), with molecular formula C24H40O6 and molecular weight 424.28 g/mol. IUPAC: (4R)-4-[(1R,3S,5S,7R,8S,9S,10S,12S,13R,14S,17R)-1,3,7,12-tetrahydroxy-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 1beta-Hydroxycholic acid
Property Insights of 1beta-Hydroxycholic acid
The XLogP value of 2.4195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1beta-Hydroxycholic acid. The TPSA of 118.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 1beta-Hydroxycholic acid. Following Lipinski's Rule of Five, 1beta-Hydroxycholic acid has 5 hydrogen bond donor(s) and 5 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 1beta-Hydroxycholic acid?
The CAS number of 1beta-Hydroxycholic acid is 80875-94-1.
What is the molecular formula of 1beta-Hydroxycholic acid?
The molecular formula of 1beta-Hydroxycholic acid is C24H40O6.
What is the molecular weight of 1beta-Hydroxycholic acid?
The molecular weight of 1beta-Hydroxycholic acid is 424.28 g/mol.
Where can I buy 1beta-Hydroxycholic acid?
You can request a quote for 1beta-Hydroxycholic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1beta-Hydroxycholic acid?
Yes, KEHONG BIO provides custom synthesis services for 1beta-Hydroxycholic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.