(3alpha,5beta,12beta)-3,12-Dihydroxycholan-24-oic acid
TL;DR: (3alpha,5beta,12beta)-3,12-Dihydroxycholan-24-oic acid (CAS 570-62-7) is a chemical compound with molecular formula C24H40O4 and molecular weight 392.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(3R,5R,8R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-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: Lagodeoxycholic, 12-Epideoxycholic acid, Desoxycholic acid, 12-Epideoxycholate, LAGODEOXYCHOLATE
| Molecular Formula | C24H40O4 |
|---|---|
| Molecular Weight | 392.29 g/mol |
| LogP | 4.4779 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.29266 |
| Heavy Atoms | 28 |
| Complexity | 605.4126 |
Chemical Identifiers
| CAS Number | 570-62-7 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
Product Overview
(3alpha,5beta,12beta)-3,12-Dihydroxycholan-24-oic acid (CAS 570-62-7), with molecular formula C24H40O4 and molecular weight 392.29 g/mol. IUPAC: (4R)-4-[(3R,5R,8R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-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,12beta)-3,12-Dihydroxycholan-24-oic acid
Property Insights of (3alpha,5beta,12beta)-3,12-Dihydroxycholan-24-oic acid
The XLogP value of 4.4779 indicates that (3alpha,5beta,12beta)-3,12-Dihydroxycholan-24-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (3alpha,5beta,12beta)-3,12-Dihydroxycholan-24-oic acid. Following Lipinski's Rule of Five, (3alpha,5beta,12beta)-3,12-Dihydroxycholan-24-oic acid has 3 hydrogen bond donor(s) and 3 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,12beta)-3,12-Dihydroxycholan-24-oic acid?
The CAS number of (3alpha,5beta,12beta)-3,12-Dihydroxycholan-24-oic acid is 570-62-7.
What is the molecular formula of (3alpha,5beta,12beta)-3,12-Dihydroxycholan-24-oic acid?
The molecular formula of (3alpha,5beta,12beta)-3,12-Dihydroxycholan-24-oic acid is C24H40O4.
What is the molecular weight of (3alpha,5beta,12beta)-3,12-Dihydroxycholan-24-oic acid?
The molecular weight of (3alpha,5beta,12beta)-3,12-Dihydroxycholan-24-oic acid is 392.29 g/mol.
Where can I buy (3alpha,5beta,12beta)-3,12-Dihydroxycholan-24-oic acid?
You can request a quote for (3alpha,5beta,12beta)-3,12-Dihydroxycholan-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,12beta)-3,12-Dihydroxycholan-24-oic acid?
Yes, KEHONG BIO provides custom synthesis services for (3alpha,5beta,12beta)-3,12-Dihydroxycholan-24-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.