β-鼠胆酸
TL;DR: β-鼠胆酸 (CAS 2393-59-1) 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.
β-鼠胆酸
(4R)-4-[(3R,5R,6S,7R,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: beta-muricholic acid, beta-MCA, Muricholic acid, b-Muricholic acid, beta-Muricholate
| Molecular Formula | C24H40O5 |
|---|---|
| Molecular Weight | 408.29 g/mol |
| LogP | 3.4487 |
| 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 | 636.76056 |
Chemical Identifiers
| CAS Number | 2393-59-1 |
|---|---|
| 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@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
Product Overview
β-鼠胆酸 (CAS 2393-59-1), with molecular formula C24H40O5 and molecular weight 408.29 g/mol. IUPAC: (4R)-4-[(3R,5R,6S,7R,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 β-鼠胆酸
Property Insights of β-鼠胆酸
The XLogP value of 3.4487 indicates that β-鼠胆酸 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 β-鼠胆酸. Following Lipinski's Rule of Five, β-鼠胆酸 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 β-鼠胆酸?
The CAS number of β-鼠胆酸 is 2393-59-1.
What is the molecular formula of β-鼠胆酸?
The molecular formula of β-鼠胆酸 is C24H40O5.
What is the molecular weight of β-鼠胆酸?
The molecular weight of β-鼠胆酸 is 408.29 g/mol.
Where can I buy β-鼠胆酸?
You can request a quote for β-鼠胆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-鼠胆酸?
Yes, KEHONG BIO provides custom synthesis services for β-鼠胆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.