Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate
TL;DR: Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate (CAS 10538-58-6) is a chemical compound with molecular formula C25H40O4 and molecular weight 404.29266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (4R)-4-[(5R,8R,9S,10S,12S,13R,14S,17R)-12-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 3-Oxo-desoxycholate, Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate, Methyl 12-hydroxy-3-oxocholan-24-oate, 11-methylsulfanyl-undecanoic acid methyl ester, Methyl(5,12)-12-hydroxy-3-oxocholan-24-oate
Technical Specifications
| Molecular Formula | C25H40O4 |
| Molecular Weight | 404.29266 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.29266 Da |
| Heavy Atoms | 29 |
| Complexity | 659.0 |
| SMILES | C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)O)C |
| InChIKey | LOJPGRHPJBGMMF-CNZSLQMUSA-N |
Chemical Property Profile of Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate
Property Insights of Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate
The XLogP value of 4.8 indicates that Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate 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 Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate. Following Lipinski's Rule of Five, Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate 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
What is the CAS number of Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate?
The CAS number of Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate is 10538-58-6.
What is the molecular formula of Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate?
The molecular formula of Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate is C25H40O4.
What is the molecular weight of Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate?
The molecular weight of Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate is 404.29266 g/mol.
Where can I buy Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate?
You can request a quote for Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate?
Yes, CoreyChem provides custom synthesis services for Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.