Ursodeoxycholate-3-sulfate
TL;DR: Ursodeoxycholate-3-sulfate (CAS 89232-83-7) is a chemical compound with molecular formula C24H37Na3O10S2 and molecular weight 618.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;(4R)-4-[(3R,5S,7S,10S,13R,17R)-10,13-dimethyl-3,7-disulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Also Known As: Acido ursulcolico, UDC-3-sulfate, Ursodeoxycholate-3-sulfate, 3-sul-UDC, Acido ursulcolico [Italian]
| Molecular Formula | C24H37Na3O10S2 |
|---|---|
| Molecular Weight | 618.15 g/mol |
| LogP | -6.8758 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 618.1521 |
| Heavy Atoms | 39 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 89232-83-7 |
|---|---|
| SMILES | C[C@H](CCC(=O)[O-])[C@H]1CCC2[C@@]1(CCC3C2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)OS(=O)(=O)[O-])C.[Na+].[Na+].[Na+] |
| InChIKey | GRNVFQGDTHVNHO-DBQNOVHGSA-K |
Product Overview
Ursodeoxycholate-3-sulfate (CAS 89232-83-7), with molecular formula C24H37Na3O10S2 and molecular weight 618.15 g/mol. IUPAC: trisodium;(4R)-4-[(3R,5S,7S,10S,13R,17R)-10,13-dimethyl-3,7-disulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate.
Chemical Property Profile of Ursodeoxycholate-3-sulfate
Property Insights of Ursodeoxycholate-3-sulfate
The XLogP value of -6.8758 indicates that Ursodeoxycholate-3-sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.0 Ų indicates high polarity, suggesting Ursodeoxycholate-3-sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ursodeoxycholate-3-sulfate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ursodeoxycholate-3-sulfate?
The CAS number of Ursodeoxycholate-3-sulfate is 89232-83-7.
What is the molecular formula of Ursodeoxycholate-3-sulfate?
The molecular formula of Ursodeoxycholate-3-sulfate is C24H37Na3O10S2.
What is the molecular weight of Ursodeoxycholate-3-sulfate?
The molecular weight of Ursodeoxycholate-3-sulfate is 618.15 g/mol.
Where can I buy Ursodeoxycholate-3-sulfate?
You can request a quote for Ursodeoxycholate-3-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ursodeoxycholate-3-sulfate?
Yes, KEHONG BIO provides custom synthesis services for Ursodeoxycholate-3-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.