Ethyl cholate
TL;DR: Ethyl cholate (CAS 47676-48-2) is a chemical compound with molecular formula C26H44O5 and molecular weight 436.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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 cholate, Ethyl iso-allocholate, cholic acid ethyl ester, ethyl isoallocholate, Cholic Acid Impurity 16
| Molecular Formula | C26H44O5 |
|---|---|
| Molecular Weight | 436.32 g/mol |
| LogP | 3.9272 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.31888 |
| Heavy Atoms | 31 |
| Complexity | 666.18274 |
Chemical Identifiers
| CAS Number | 47676-48-2 |
|---|---|
| SMILES | CCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
Product Overview
Ethyl cholate (CAS 47676-48-2), with molecular formula C26H44O5 and molecular weight 436.32 g/mol. IUPAC: ethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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 cholate
Property Insights of Ethyl cholate
The XLogP value of 3.9272 indicates that Ethyl cholate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl cholate. Following Lipinski's Rule of Five, Ethyl cholate has 3 hydrogen bond donor(s) and 5 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 cholate?
The CAS number of Ethyl cholate is 47676-48-2.
What is the molecular formula of Ethyl cholate?
The molecular formula of Ethyl cholate is C26H44O5.
What is the molecular weight of Ethyl cholate?
The molecular weight of Ethyl cholate is 436.32 g/mol.
Where can I buy Ethyl cholate?
You can request a quote for Ethyl cholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl cholate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl cholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.