熊胆酸
TL;DR: 熊胆酸 (CAS 2955-27-3) 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.
熊胆酸
(4R)-4-[(3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-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: ursocholic acid, 7-Epicholic acid, Ursocholate, 7-epicholate, 7b-Hydroxyisocholate
| Molecular Formula | C24H40O5 |
|---|---|
| Molecular Weight | 408.29 g/mol |
| LogP | 3.6 |
| 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 | 2955-27-3 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
| InChIKey | BHQCQFFYRZLCQQ-UTLSPDKDSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
熊胆酸 (CAS 2955-27-3), with molecular formula C24H40O5 and molecular weight 408.29 g/mol. IUPAC: (4R)-4-[(3R,5S,7S,8R,9S,10S,12S,13R,14S,17R)-3,7,12-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 熊胆酸
Property Insights of 熊胆酸
The XLogP value of 3.6 indicates that 熊胆酸 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 熊胆酸. Following Lipinski's Rule of Five, 熊胆酸 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 熊胆酸?
The CAS number of 熊胆酸 is 2955-27-3.
What is the molecular formula of 熊胆酸?
The molecular formula of 熊胆酸 is C24H40O5.
What is the molecular weight of 熊胆酸?
The molecular weight of 熊胆酸 is 408.29 g/mol.
Where can I buy 熊胆酸?
You can request a quote for 熊胆酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 熊胆酸?
Yes, KEHONG BIO provides custom synthesis services for 熊胆酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.