acetate structure](/static/products/4025/402568-10-9.webp)
Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate
TL;DR: Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate (CAS 402568-10-9) 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-[3,5-bis(trifluoromethyl)phenyl]-2-oxoacetate
Also Known As: Firategrast (USAN), Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate, ethyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-oxoacetate, Ethyl 2-(3,5-bis(trifluoromethyl)phenyl)-2-oxoacetate, 2657AE
| 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 | 526.8417 |
Chemical Identifiers
| CAS Number | 402568-10-9 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
Product Overview
Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate (CAS 402568-10-9), with molecular formula C12H8F6O3 and molecular weight 314.04 g/mol. IUPAC: ethyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-oxoacetate.
Chemical Property Profile of Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate
Property Insights of Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate
The XLogP value of 3.47 indicates that Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate 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 [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate?
The CAS number of Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate is 402568-10-9.
What is the molecular formula of Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate?
The molecular formula of Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate is C12H8F6O3.
What is the molecular weight of Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate?
The molecular weight of Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate is 314.04 g/mol.
Where can I buy Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate?
You can request a quote for Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [3,5-Bis(trifluoromethyl)phenyl](oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.