原胆酸
TL;DR: 原胆酸 (CAS 641-81-6) is a chemical compound with molecular formula C24H38O4 and molecular weight 390.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
原胆酸
(4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Also Known As: Apocholic acid, a-apocholic acid, Apocholicacid, Apocholsaeure, Apocholate
| Molecular Formula | C24H38O4 |
|---|---|
| Molecular Weight | 390.28 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.277 |
| Heavy Atoms | 28 |
| Complexity | 670.0 |
Chemical Identifiers
| CAS Number | 641-81-6 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4C[C@@H](CC[C@@]4([C@H]3C[C@@H]([C@]12C)O)C)O |
| InChIKey | XWJTYEGVQBFZHI-IMPNNSMHSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
原胆酸 (CAS 641-81-6), with molecular formula C24H38O4 and molecular weight 390.28 g/mol. IUPAC: (4R)-4-[(3R,5R,9R,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid.
Chemical Property Profile of 原胆酸
Property Insights of 原胆酸
The XLogP value of 3.5 indicates that 原胆酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 原胆酸. Following Lipinski's Rule of Five, 原胆酸 has 3 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 原胆酸?
The CAS number of 原胆酸 is 641-81-6.
What is the molecular formula of 原胆酸?
The molecular formula of 原胆酸 is C24H38O4.
What is the molecular weight of 原胆酸?
The molecular weight of 原胆酸 is 390.28 g/mol.
Where can I buy 原胆酸?
You can request a quote for 原胆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 原胆酸?
Yes, KEHONG BIO provides custom synthesis services for 原胆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.