5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester
TL;DR: 5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester (CAS 67371-28-2) is a chemical compound with molecular formula C25H40O4 and molecular weight 404.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
Also Known As: Methyl 7a-Hydroxy-3-ketocholanoate, Methyl 7b-Hydroxy-3-ketocholanoate, Methyl 7?-Hydroxy-3-ketocholanoate, Methyl 7 -Hydroxy-3-ketocholanoate, Methyl 7alpha-Hydroxy-3-ketocholanoate?
| Molecular Formula | C25H40O4 |
|---|---|
| Molecular Weight | 404.29 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.29266 |
| Heavy Atoms | 29 |
| Complexity | 659.0 |
Chemical Identifiers
| CAS Number | 67371-28-2 |
|---|---|
| SMILES | CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(=O)C4)C)O)C |
| InChIKey | XHRLTYUHWGHDCJ-UHFFFAOYSA-N |
Product Overview
5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester (CAS 67371-28-2), with molecular formula C25H40O4 and molecular weight 404.29 g/mol. IUPAC: methyl 4-(7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoate.
Chemical Property Profile of 5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester
Property Insights of 5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester
The XLogP value of 4.8 indicates that 5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester. Following Lipinski's Rule of Five, 5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester has 1 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 5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester?
The CAS number of 5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester is 67371-28-2.
What is the molecular formula of 5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester?
The molecular formula of 5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester is C25H40O4.
What is the molecular weight of 5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester?
The molecular weight of 5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester is 404.29 g/mol.
Where can I buy 5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester?
You can request a quote for 5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5beta-Cholan-24-oic acid, 7alpha-hydroxy-3-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.