Ursulcholic acid
TL;DR: Ursulcholic acid (CAS 620948-93-8) is a chemical compound with molecular formula C24H40O10S2 and molecular weight 552.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Ursulcholic acid
(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-disulfooxy-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: Ursulcholic acid, Ursulcholic, Acido ursulcolico, acide ursulcholique, Ursulcholic acid [INN]
| Molecular Formula | C24H40O10S2 |
|---|---|
| Molecular Weight | 552.21 g/mol |
| LogP | 4.1321 |
| Topological Polar Surface Area | 164.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 552.2063 |
| Heavy Atoms | 36 |
| Complexity | 1058.7682 |
Chemical Identifiers
| CAS Number | 620948-93-8 |
|---|---|
| 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[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)OS(=O)(=O)O)C |
Product Overview
Ursulcholic acid (CAS 620948-93-8), with molecular formula C24H40O10S2 and molecular weight 552.21 g/mol. IUPAC: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-disulfooxy-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 Ursulcholic acid
Property Insights of Ursulcholic acid
The XLogP value of 4.1321 indicates that Ursulcholic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.5 Ų indicates high polarity, suggesting Ursulcholic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ursulcholic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ursulcholic acid?
The CAS number of Ursulcholic acid is 620948-93-8.
What is the molecular formula of Ursulcholic acid?
The molecular formula of Ursulcholic acid is C24H40O10S2.
What is the molecular weight of Ursulcholic acid?
The molecular weight of Ursulcholic acid is 552.21 g/mol.
Where can I buy Ursulcholic acid?
You can request a quote for Ursulcholic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ursulcholic acid?
Yes, KEHONG BIO provides custom synthesis services for Ursulcholic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.