Methyl 7-ketocholate
TL;DR: Methyl 7-ketocholate (CAS 10538-65-5) is a chemical compound with molecular formula C25H40O5 and molecular weight 420.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
Also Known As: Methyl 7-ketocholate, EX-A16610N, 4CH-024517, Methyl-7-keto-3a,12a-dihydroxy-5b-cholanoate, Methyl (3a,5b,12a)-3,12-dihydroxy-7-oxocholan-24-oate
| Molecular Formula | C25H40O5 |
|---|---|
| Molecular Weight | 420.29 g/mol |
| LogP | 3.7453 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.28757 |
| Heavy Atoms | 30 |
| Complexity | 691.0265 |
Chemical Identifiers
| CAS Number | 10538-65-5 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(=O)CC4C3(CCC(C4)O)C)O)C |
Product Overview
Methyl 7-ketocholate (CAS 10538-65-5), with molecular formula C25H40O5 and molecular weight 420.29 g/mol. IUPAC: methyl 4-(3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate.
Chemical Property Profile of Methyl 7-ketocholate
Property Insights of Methyl 7-ketocholate
The XLogP value of 3.7453 indicates that Methyl 7-ketocholate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 7-ketocholate. Following Lipinski's Rule of Five, Methyl 7-ketocholate has 2 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 Methyl 7-ketocholate?
The CAS number of Methyl 7-ketocholate is 10538-65-5.
What is the molecular formula of Methyl 7-ketocholate?
The molecular formula of Methyl 7-ketocholate is C25H40O5.
What is the molecular weight of Methyl 7-ketocholate?
The molecular weight of Methyl 7-ketocholate is 420.29 g/mol.
Where can I buy Methyl 7-ketocholate?
You can request a quote for Methyl 7-ketocholate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-ketocholate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-ketocholate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.