Ethyl 3,5-bis(trifluoromethyl)benzoate
TL;DR: Ethyl 3,5-bis(trifluoromethyl)benzoate (CAS 96617-71-9) is a chemical compound with molecular formula C11H8F6O2 and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-bis(trifluoromethyl)benzoate
Also Known As: Ethyl 3,5-bis(trifluoromethyl)benzoate, ethyl3,5-bis benzoate, rarechem al bi 0207, 3,5-Bis-trifluoromethyl-benzoic acid ethyl ester, 5-Chloro-2-phenoxyphenylacetic acid
| Molecular Formula | C11H8F6O2 |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 3.9009 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.04285 |
| Heavy Atoms | 19 |
| Complexity | 442.80426 |
Chemical Identifiers
| CAS Number | 96617-71-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
Product Overview
Ethyl 3,5-bis(trifluoromethyl)benzoate (CAS 96617-71-9), with molecular formula C11H8F6O2 and molecular weight 286.04 g/mol. IUPAC: ethyl 3,5-bis(trifluoromethyl)benzoate.
Chemical Property Profile of Ethyl 3,5-bis(trifluoromethyl)benzoate
Property Insights of Ethyl 3,5-bis(trifluoromethyl)benzoate
The XLogP value of 3.9009 indicates that Ethyl 3,5-bis(trifluoromethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3,5-bis(trifluoromethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,5-bis(trifluoromethyl)benzoate has 0 hydrogen bond donor(s) and 2 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)benzoate?
The CAS number of Ethyl 3,5-bis(trifluoromethyl)benzoate is 96617-71-9.
What is the molecular formula of Ethyl 3,5-bis(trifluoromethyl)benzoate?
The molecular formula of Ethyl 3,5-bis(trifluoromethyl)benzoate is C11H8F6O2.
What is the molecular weight of Ethyl 3,5-bis(trifluoromethyl)benzoate?
The molecular weight of Ethyl 3,5-bis(trifluoromethyl)benzoate is 286.04 g/mol.
Where can I buy Ethyl 3,5-bis(trifluoromethyl)benzoate?
You can request a quote for Ethyl 3,5-bis(trifluoromethyl)benzoate 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)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,5-bis(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.