2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate
TL;DR: 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate (CAS 2448-27-3) is a chemical compound with molecular formula C18H15F3N2O5 and molecular weight 396.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[2-[3-(trifluoromethyl)anilino]benzoyl]oxyacetyl]amino]acetic acid
Also Known As: 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate, N-((2-(3-Trifluormethylanilino)benzoyloxy)acetyl)glycin, N-((2-(3-Trifluormethylanilino)benzoyloxy)acetyl)glycin [German], Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-((carboxymethyl)amino)-2-oxoethyl ester, n-{[(2-{[3-(trifluoromethyl)phenyl]amino}benzoyl)oxy]acetyl}glycine
| Molecular Formula | C18H15F3N2O5 |
|---|---|
| Molecular Weight | 396.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.0933 |
| Heavy Atoms | 28 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 2448-27-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC(=O)NCC(=O)O)NC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | NKPPPCNNNKTASW-UHFFFAOYSA-N |
Product Overview
2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate (CAS 2448-27-3), with molecular formula C18H15F3N2O5 and molecular weight 396.09 g/mol. IUPAC: 2-[[2-[2-[3-(trifluoromethyl)anilino]benzoyl]oxyacetyl]amino]acetic acid.
Chemical Property Profile of 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate
Property Insights of 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate
The XLogP value of 4.5 indicates that 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate. Following Lipinski's Rule of Five, 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate has 3 hydrogen bond donor(s) and 9 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 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate?
The CAS number of 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate is 2448-27-3.
What is the molecular formula of 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate?
The molecular formula of 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate is C18H15F3N2O5.
What is the molecular weight of 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate?
The molecular weight of 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate is 396.09 g/mol.
Where can I buy 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate?
You can request a quote for 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-((Carboxymethyl)amino)-2-oxoethyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.