(2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester
TL;DR: (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester (CAS 306936-81-2) is a chemical compound with molecular formula C12H8F6O3 and molecular weight 314.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2,4-bis(trifluoromethyl)phenyl]-2-oxoacetate
Also Known As: Ethyl 2-(2,4-bis(trifluoromethyl)phenyl)-2-oxoacetate, ethyl 2-[2,4-bis(trifluoromethyl)phenyl]-2-oxoacetate, (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester, Ethyl [2,4-bis(trifluoromethyl)phenyl](oxo)acetate, Ethyl 2,4-bis(trifluoromethyl)benzoyl formate
| Molecular Formula | C12H8F6O3 |
|---|---|
| Molecular Weight | 314.04 g/mol |
| LogP | 3.47 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.03775 |
| Heavy Atoms | 21 |
| Complexity | 559.0917 |
Chemical Identifiers
| CAS Number | 306936-81-2 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F |
Product Overview
(2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester (CAS 306936-81-2), with molecular formula C12H8F6O3 and molecular weight 314.04 g/mol. IUPAC: ethyl 2-[2,4-bis(trifluoromethyl)phenyl]-2-oxoacetate.
Chemical Property Profile of (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester
Property Insights of (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester
The XLogP value of 3.47 indicates that (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester 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 (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester?
The CAS number of (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester is 306936-81-2.
What is the molecular formula of (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester?
The molecular formula of (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester is C12H8F6O3.
What is the molecular weight of (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester?
The molecular weight of (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester is 314.04 g/mol.
Where can I buy (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester?
You can request a quote for (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.