![Ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)acetate structure](/static/products/449/4495-99-2.png)
Ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)acetate
TL;DR: Ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)acetate (CAS 4495-99-2) is a chemical compound with molecular formula C12H13F3N2O3 and molecular weight 290.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetate
Also Known As: Ethyl 2-(3-(3-(trifluoromethyl)phenyl)ureido)acetate, Ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetate, ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)acetate, ethyl 2-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)acetate
| Molecular Formula | C12H13F3N2O3 |
|---|---|
| Molecular Weight | 290.09 g/mol |
| LogP | 2.39 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.08783 |
| Heavy Atoms | 20 |
| Complexity | 489.08105 |
Chemical Identifiers
| CAS Number | 4495-99-2 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
Ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)acetate (CAS 4495-99-2), with molecular formula C12H13F3N2O3 and molecular weight 290.09 g/mol. IUPAC: ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]acetate.
Chemical Property Profile of Ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)acetate
Property Insights of Ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)acetate
The XLogP value of 2.39 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)acetate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)acetate. Following Lipinski's Rule of Five, Ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)acetate has 2 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-(trifluoromethyl)anilino]carbonyl}amino)acetate?
The CAS number of Ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)acetate is 4495-99-2.
What is the molecular formula of Ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)acetate?
The molecular formula of Ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)acetate is C12H13F3N2O3.
What is the molecular weight of Ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)acetate?
The molecular weight of Ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)acetate is 290.09 g/mol.
Where can I buy Ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)acetate?
You can request a quote for Ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)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-(trifluoromethyl)anilino]carbonyl}amino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl ({[3-(trifluoromethyl)anilino]carbonyl}amino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.