Ursocholanic Acid
TL;DR: Ursocholanic Acid (CAS 546-18-9) is a chemical compound with molecular formula C24H40O2 and molecular weight 360.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-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: 5beta-Cholanic acid, Ursocholanic acid, Cholanoic acid, A-Cholanic acid, 5beta-Cholanoic acid
| Molecular Formula | C24H40O2 |
|---|---|
| Molecular Weight | 360.30 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.30283 |
| Heavy Atoms | 26 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 546-18-9 |
|---|---|
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCCC4)C)C |
| InChIKey | RPKLZQLYODPWTM-LVVAJZGHSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ursocholanic Acid (CAS 546-18-9), with molecular formula C24H40O2 and molecular weight 360.30 g/mol. IUPAC: (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-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 Ursocholanic Acid
Property Insights of Ursocholanic Acid
The XLogP value of 8.0 indicates that Ursocholanic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Ursocholanic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ursocholanic Acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ursocholanic Acid?
The CAS number of Ursocholanic Acid is 546-18-9.
What is the molecular formula of Ursocholanic Acid?
The molecular formula of Ursocholanic Acid is C24H40O2.
What is the molecular weight of Ursocholanic Acid?
The molecular weight of Ursocholanic Acid is 360.30 g/mol.
Where can I buy Ursocholanic Acid?
You can request a quote for Ursocholanic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ursocholanic Acid?
Yes, KEHONG BIO provides custom synthesis services for Ursocholanic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.