Ursodeoxycholic acid sodium
TL;DR: Ursodeoxycholic acid sodium (CAS 2898-95-5) is a chemical compound with molecular formula C24H40NaO4 and molecular weight 415.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: chenodeoxycholic acid, ursodeoxycholic acid sodium, (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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; sodium
| Molecular Formula | C24H40NaO4 |
|---|---|
| Molecular Weight | 415.28 g/mol |
| LogP | 4.0971 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.28244 |
| Heavy Atoms | 29 |
| Complexity | 611.68805 |
Chemical Identifiers
| CAS Number | 2898-95-5 |
|---|---|
| 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)O)C)O)C.[Na] |
Product Overview
Ursodeoxycholic acid sodium (CAS 2898-95-5), with molecular formula C24H40NaO4 and molecular weight 415.28 g/mol.
Chemical Property Profile of Ursodeoxycholic acid sodium
Property Insights of Ursodeoxycholic acid sodium
The XLogP value of 4.0971 indicates that Ursodeoxycholic acid sodium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Ursodeoxycholic acid sodium. Following Lipinski's Rule of Five, Ursodeoxycholic acid sodium has 3 hydrogen bond donor(s) and 3 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 Ursodeoxycholic acid sodium?
The CAS number of Ursodeoxycholic acid sodium is 2898-95-5.
What is the molecular formula of Ursodeoxycholic acid sodium?
The molecular formula of Ursodeoxycholic acid sodium is C24H40NaO4.
What is the molecular weight of Ursodeoxycholic acid sodium?
The molecular weight of Ursodeoxycholic acid sodium is 415.28 g/mol.
Where can I buy Ursodeoxycholic acid sodium?
You can request a quote for Ursodeoxycholic acid sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ursodeoxycholic acid sodium?
Yes, KEHONG BIO provides custom synthesis services for Ursodeoxycholic acid sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.