Ethyl 3,7,12-trioxo-5betacholan-24-oate
TL;DR: Ethyl 3,7,12-trioxo-5betacholan-24-oate (CAS 52718-49-7) is a chemical compound with molecular formula C26H38O5 and molecular weight 430.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
Also Known As: Ethyl 3,7,12-trioxo-5betacholan-24-oate, Ethyl 3,7,12-trioxocholan-24-oate, ethyl3,7,12-trioxo-5betacholan-24-oate, Ethyl 3,7,12-trioxo-5beta-cholan-24-oate, ethyl(5
| Molecular Formula | C26H38O5 |
|---|---|
| Molecular Weight | 430.27 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.2719 |
| Heavy Atoms | 31 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 52718-49-7 |
|---|---|
| SMILES | CCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C |
| InChIKey | JOLKBUSRBZYZEH-PYGYYAGESA-N |
Product Overview
Ethyl 3,7,12-trioxo-5betacholan-24-oate (CAS 52718-49-7), with molecular formula C26H38O5 and molecular weight 430.27 g/mol. IUPAC: ethyl (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate.
Chemical Property Profile of Ethyl 3,7,12-trioxo-5betacholan-24-oate
Property Insights of Ethyl 3,7,12-trioxo-5betacholan-24-oate
The XLogP value of 3.3 indicates that Ethyl 3,7,12-trioxo-5betacholan-24-oate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,7,12-trioxo-5betacholan-24-oate. Following Lipinski's Rule of Five, Ethyl 3,7,12-trioxo-5betacholan-24-oate has 0 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 3,7,12-trioxo-5betacholan-24-oate?
The CAS number of Ethyl 3,7,12-trioxo-5betacholan-24-oate is 52718-49-7.
What is the molecular formula of Ethyl 3,7,12-trioxo-5betacholan-24-oate?
The molecular formula of Ethyl 3,7,12-trioxo-5betacholan-24-oate is C26H38O5.
What is the molecular weight of Ethyl 3,7,12-trioxo-5betacholan-24-oate?
The molecular weight of Ethyl 3,7,12-trioxo-5betacholan-24-oate is 430.27 g/mol.
Where can I buy Ethyl 3,7,12-trioxo-5betacholan-24-oate?
You can request a quote for Ethyl 3,7,12-trioxo-5betacholan-24-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,7,12-trioxo-5betacholan-24-oate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,7,12-trioxo-5betacholan-24-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.