Allochenodeoxycholic acid
TL;DR: Allochenodeoxycholic acid (CAS 15357-34-3) 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,7R,8R,9S,10S,13R,14S,17R)-3,7-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: Allochenodeoxycholic acid, Allochenodeoxycholate, allo-CDCA, allo-Chenodeoxycholic acid, URSODEOXYCHOLIC ACID
| 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 | 15357-34-3 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
Product Overview
Allochenodeoxycholic acid (CAS 15357-34-3), with molecular formula C24H40O4 and molecular weight 392.29 g/mol. IUPAC: (4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-3,7-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 Allochenodeoxycholic acid
Property Insights of Allochenodeoxycholic acid
The XLogP value of 4.4779 indicates that Allochenodeoxycholic 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 Allochenodeoxycholic acid. Following Lipinski's Rule of Five, Allochenodeoxycholic 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 Allochenodeoxycholic acid?
The CAS number of Allochenodeoxycholic acid is 15357-34-3.
What is the molecular formula of Allochenodeoxycholic acid?
The molecular formula of Allochenodeoxycholic acid is C24H40O4.
What is the molecular weight of Allochenodeoxycholic acid?
The molecular weight of Allochenodeoxycholic acid is 392.29 g/mol.
Where can I buy Allochenodeoxycholic acid?
You can request a quote for Allochenodeoxycholic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allochenodeoxycholic acid?
Yes, KEHONG BIO provides custom synthesis services for Allochenodeoxycholic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.