Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester
TL;DR: Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester (CAS 73771-71-8) is a chemical compound with molecular formula C28H44O6 and molecular weight 476.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (3R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-17-[(2R)-5-methoxy-5-oxopentan-2-yl]-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3-carboxylate
Also Known As: 3-alpha-Ethoxycarbonyl-12-alpha-hydroxy-7-oxocholan-24-oic acid, methyl ester, Methyl 3-alpha-carbethoxy-12-alpha-hydroxy-7-ketocholanate, Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester, ethyl 12-hydroxy-24-methoxy-7,24-dioxocholane-3-carboxylate, 3-alpha-Ethoxycarbonyl-12-alpha-hydroxy-7-oxocholan-24-oicacid,methylester
| Molecular Formula | C28H44O6 |
|---|---|
| Molecular Weight | 476.31 g/mol |
| LogP | 4.5637 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.31378 |
| Heavy Atoms | 34 |
| Complexity | 808.718 |
Chemical Identifiers
| CAS Number | 73771-71-8 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3C(=O)CC2C1)CC[C@@H]4[C@H](C)CCC(=O)OC)C)O)C |
Product Overview
Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester (CAS 73771-71-8), with molecular formula C28H44O6 and molecular weight 476.31 g/mol. IUPAC: ethyl (3R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-17-[(2R)-5-methoxy-5-oxopentan-2-yl]-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3-carboxylate.
Chemical Property Profile of Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester
Property Insights of Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester
The XLogP value of 4.5637 indicates that Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester. Following Lipinski's Rule of Five, Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester has 1 hydrogen bond donor(s) and 6 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 Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester?
The CAS number of Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester is 73771-71-8.
What is the molecular formula of Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester?
The molecular formula of Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester is C28H44O6.
What is the molecular weight of Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester?
The molecular weight of Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester is 476.31 g/mol.
Where can I buy Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester?
You can request a quote for Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-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 Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cholan-24-oic acid, 3-alpha-ethoxycarbonyl-12-alpha-hydroxy-7-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.