(4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester
TL;DR: (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester (CAS 2445-85-4) is a chemical compound with molecular formula C11H12F3NO2 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(trifluoromethyl)anilino]acetate
Also Known As: Maybridge1_007546, (4-trifluoromethyl-phenylamino)-acetic acid ethyl ester, ethyl 2-[4-(trifluoromethyl)anilino]acetate, Ethyl 2-((4-(trifluoromethyl)phenyl)amino)acetate, Glycine,N-[4-(trifluoromethyl)phenyl]-, ethyl ester
| Molecular Formula | C11H12F3NO2 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.08202 |
| Heavy Atoms | 17 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 2445-85-4 |
|---|---|
| SMILES | CCOC(=O)CNC1=CC=C(C=C1)C(F)(F)F |
| InChIKey | MNUDPPZEGATPIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester (CAS 2445-85-4), with molecular formula C11H12F3NO2 and molecular weight 247.08 g/mol. IUPAC: ethyl 2-[4-(trifluoromethyl)anilino]acetate.
Chemical Property Profile of (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester
Property Insights of (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester
The XLogP value of 3.1 indicates that (4-Trifluoromethyl-phenylamino)-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 38.3 Ų, (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester has 1 hydrogen bond donor(s) and 6 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 (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester?
The CAS number of (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester is 2445-85-4.
What is the molecular formula of (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester?
The molecular formula of (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester is C11H12F3NO2.
What is the molecular weight of (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester?
The molecular weight of (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester is 247.08 g/mol.
Where can I buy (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester?
You can request a quote for (4-Trifluoromethyl-phenylamino)-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 (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.