Ethyl lithocholate
TL;DR: Ethyl lithocholate (CAS 6112-82-9) is a chemical compound with molecular formula C26H44O3 and molecular weight 404.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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 lithocholate, Ethyl 3-hydroxycholan-24-oate, Ethyl 3-hydroxycholan-24-oate #, Ethyl 3alpha-hydroxy-5beta-cholan-24-oate, Cholan-24-oic acid, 3-hydroxy-, ethyl ester, (3alpha,5beta)-
| Molecular Formula | C26H44O3 |
|---|---|
| Molecular Weight | 404.33 g/mol |
| LogP | 5.9856 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.32904 |
| Heavy Atoms | 29 |
| Complexity | 602.76086 |
Chemical Identifiers
| CAS Number | 6112-82-9 |
|---|---|
| SMILES | CCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C |
Product Overview
Ethyl lithocholate (CAS 6112-82-9), with molecular formula C26H44O3 and molecular weight 404.33 g/mol. IUPAC: ethyl (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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 lithocholate
Property Insights of Ethyl lithocholate
The XLogP value of 5.9856 indicates that Ethyl lithocholate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Ethyl lithocholate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl lithocholate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl lithocholate?
The CAS number of Ethyl lithocholate is 6112-82-9.
What is the molecular formula of Ethyl lithocholate?
The molecular formula of Ethyl lithocholate is C26H44O3.
What is the molecular weight of Ethyl lithocholate?
The molecular weight of Ethyl lithocholate is 404.33 g/mol.
Where can I buy Ethyl lithocholate?
You can request a quote for Ethyl lithocholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl lithocholate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl lithocholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.