Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate
TL;DR: Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate (CAS 73790-06-4) is a chemical compound with molecular formula C11H9F3O3 and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-2-[4-(trifluoromethyl)phenyl]acetate
Also Known As: Ethyl Oxo-(4-trifluoromethylphenyl)acetate, ethyl 2-oxo-2-[4-(trifluoromethyl)phenyl]acetate, ethyl 2-oxo-2-(4-(trifluoromethyl)phenyl)acetate, Benzeneacetic acid, a-oxo-4-(trifluoromethyl)-, ethylester, Ethyl 2-oxo-2-(4-trifluoromethylphenyl)acetate
| Molecular Formula | C11H9F3O3 |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 2.4512 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.05038 |
| Heavy Atoms | 17 |
| Complexity | 420.58295 |
Chemical Identifiers
| CAS Number | 73790-06-4 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC=C(C=C1)C(F)(F)F |
Product Overview
Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate (CAS 73790-06-4), with molecular formula C11H9F3O3 and molecular weight 246.05 g/mol. IUPAC: ethyl 2-oxo-2-[4-(trifluoromethyl)phenyl]acetate.
Chemical Property Profile of Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate
Property Insights of Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate
The XLogP value of 2.4512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate has 0 hydrogen bond donor(s) and 3 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 Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate?
The CAS number of Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate is 73790-06-4.
What is the molecular formula of Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate?
The molecular formula of Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate is C11H9F3O3.
What is the molecular weight of Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate?
The molecular weight of Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate is 246.05 g/mol.
Where can I buy Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate?
You can request a quote for Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl alpha-oxo-4-(trifluoromethyl)benzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.