Ethyl m-trifluoromethylcarbanilate
TL;DR: Ethyl m-trifluoromethylcarbanilate (CAS 2534-93-2) is a chemical compound with molecular formula C10H10F3NO2 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[3-(trifluoromethyl)phenyl]carbamate
Also Known As: Ethyl m-trifluoromethylcarbanilate, Ethyl 3-(trifluoromethyl)carbanilate, ethyl N-[3-(trifluoromethyl)phenyl]carbamate, Ethyl 3-(trifluoromethyl)phenylcarbamate, ethyl [3-(trifluoromethyl)phenyl]carbamate
| Molecular Formula | C10H10F3NO2 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.06636 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 2534-93-2 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=CC(=C1)C(F)(F)F |
| InChIKey | PMUYMIHQAGLXJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl m-trifluoromethylcarbanilate (CAS 2534-93-2), with molecular formula C10H10F3NO2 and molecular weight 233.07 g/mol. IUPAC: ethyl N-[3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of Ethyl m-trifluoromethylcarbanilate
Property Insights of Ethyl m-trifluoromethylcarbanilate
The XLogP value of 3.1 indicates that Ethyl m-trifluoromethylcarbanilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl m-trifluoromethylcarbanilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl m-trifluoromethylcarbanilate has 1 hydrogen bond donor(s) and 5 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 m-trifluoromethylcarbanilate?
The CAS number of Ethyl m-trifluoromethylcarbanilate is 2534-93-2.
What is the molecular formula of Ethyl m-trifluoromethylcarbanilate?
The molecular formula of Ethyl m-trifluoromethylcarbanilate is C10H10F3NO2.
What is the molecular weight of Ethyl m-trifluoromethylcarbanilate?
The molecular weight of Ethyl m-trifluoromethylcarbanilate is 233.07 g/mol.
Where can I buy Ethyl m-trifluoromethylcarbanilate?
You can request a quote for Ethyl m-trifluoromethylcarbanilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl m-trifluoromethylcarbanilate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl m-trifluoromethylcarbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.