Ethyl ursodeoxycholate
TL;DR: Ethyl ursodeoxycholate (CAS 69519-36-4) is a chemical compound with molecular formula C26H44O4 and molecular weight 420.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (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]pentanoate
Also Known As: ethyl ursodeoxycholate, Ursodeoxycholic acid impurity 56, Urosodeoxycholic Acid Impurity 20, ethyl (R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate, Ethyl (R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate (Bile acid impurity)
| Molecular Formula | C26H44O4 |
|---|---|
| Molecular Weight | 420.32 g/mol |
| LogP | 4.9564 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.32397 |
| Heavy Atoms | 30 |
| Complexity | 634.52313 |
Chemical Identifiers
| CAS Number | 69519-36-4 |
|---|---|
| SMILES | CCOC(=O)CC[C@@H](C)[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 |
Product Overview
Ethyl ursodeoxycholate (CAS 69519-36-4), with molecular formula C26H44O4 and molecular weight 420.32 g/mol. IUPAC: ethyl (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]pentanoate.
Chemical Property Profile of Ethyl ursodeoxycholate
Property Insights of Ethyl ursodeoxycholate
The XLogP value of 4.9564 indicates that Ethyl ursodeoxycholate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl ursodeoxycholate. Following Lipinski's Rule of Five, Ethyl ursodeoxycholate has 2 hydrogen bond donor(s) and 4 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 Ethyl ursodeoxycholate?
The CAS number of Ethyl ursodeoxycholate is 69519-36-4.
What is the molecular formula of Ethyl ursodeoxycholate?
The molecular formula of Ethyl ursodeoxycholate is C26H44O4.
What is the molecular weight of Ethyl ursodeoxycholate?
The molecular weight of Ethyl ursodeoxycholate is 420.32 g/mol.
Where can I buy Ethyl ursodeoxycholate?
You can request a quote for Ethyl ursodeoxycholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl ursodeoxycholate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl ursodeoxycholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.