Muricholic acid
TL;DR: Muricholic acid (CAS 39016-49-4) 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,5R,8S,9S,10R,13R,14S,17R)-3,6,7-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: Muricholic acid, Hyocholic acid, muricholate, alpha-Muricholic acid, A-Muricholic Acid
| Molecular Formula | C24H40O5 |
|---|---|
| Molecular Weight | 408.29 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.28757 |
| Heavy Atoms | 29 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 39016-49-4 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
| InChIKey | DKPMWHFRUGMUKF-JDDNAIEOSA-N |
Product Overview
Muricholic acid (CAS 39016-49-4), with molecular formula C24H40O5 and molecular weight 408.29 g/mol. IUPAC: (4R)-4-[(3R,5R,8S,9S,10R,13R,14S,17R)-3,6,7-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 Muricholic acid
Property Insights of Muricholic acid
The XLogP value of 3.9 indicates that Muricholic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Muricholic acid. Following Lipinski's Rule of Five, Muricholic acid has 4 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 Muricholic acid?
The CAS number of Muricholic acid is 39016-49-4.
What is the molecular formula of Muricholic acid?
The molecular formula of Muricholic acid is C24H40O5.
What is the molecular weight of Muricholic acid?
The molecular weight of Muricholic acid is 408.29 g/mol.
Where can I buy Muricholic acid?
You can request a quote for Muricholic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Muricholic acid?
Yes, KEHONG BIO provides custom synthesis services for Muricholic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.