Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate
TL;DR: Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate (CAS 126402-01-5) is a chemical compound with molecular formula C12H11F3O4 and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate
Also Known As: Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate, J2.019.082E, Methyl2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate, 4-Phenyl-4-oxo-2-hydroxy-2-(trifluoromethyl)butyric acid methyl ester
| Molecular Formula | C12H11F3O4 |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 1.7258 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.06094 |
| Heavy Atoms | 19 |
| Complexity | 469.61288 |
Chemical Identifiers
| CAS Number | 126402-01-5 |
|---|---|
| SMILES | COC(=O)C(CC(=O)C1=CC=CC=C1)(C(F)(F)F)O |
Product Overview
Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate (CAS 126402-01-5), with molecular formula C12H11F3O4 and molecular weight 276.06 g/mol. IUPAC: methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate.
Chemical Property Profile of Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate
Property Insights of Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate
The XLogP value of 1.7258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate. Following Lipinski's Rule of Five, Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate 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 Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate?
The CAS number of Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate is 126402-01-5.
What is the molecular formula of Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate?
The molecular formula of Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate is C12H11F3O4.
What is the molecular weight of Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate?
The molecular weight of Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate is 276.06 g/mol.
Where can I buy Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate?
You can request a quote for Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hydroxy-4-oxo-4-phenyl-2-(trifluoromethyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.