RefChem:326639
TL;DR: RefChem:326639 (CAS 4594-76-7) is a chemical compound with molecular formula C20H19F3N2O5 and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
Also Known As: Benzoic acid, 2-((3-(trifluoromethyl)phenyl)amino)-, 2-((2-ethoxy-2-oxoethyl)amino)-2-oxoethyl ester, N-((2-(3-Trifluormethylanilino)benzoyloxy)acetyl)glycinaethyl ester [German], N-((2-(3-Trifluormethylanilino)benzoyloxy)acetyl)glycinaethyl ester, 2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl 2-{[3-(trifluoromethyl)phenyl]amino}benzoate, ethoxycarbonylmethylcarbamoylmethyl2-[[3- phenyl]amino]benzoate
| Molecular Formula | C20H19F3N2O5 |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 424.1246 |
| Heavy Atoms | 30 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 4594-76-7 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)COC(=O)C1=CC=CC=C1NC2=CC=CC(=C2)C(F)(F)F |
| InChIKey | LUTKKCRVMWQDLG-UHFFFAOYSA-N |
Product Overview
RefChem:326639 (CAS 4594-76-7), with molecular formula C20H19F3N2O5 and molecular weight 424.12 g/mol. IUPAC: [2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate.
Chemical Property Profile of RefChem:326639
Property Insights of RefChem:326639
The XLogP value of 4.2 indicates that RefChem:326639 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326639. Following Lipinski's Rule of Five, RefChem:326639 has 2 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 RefChem:326639?
The CAS number of RefChem:326639 is 4594-76-7.
What is the molecular formula of RefChem:326639?
The molecular formula of RefChem:326639 is C20H19F3N2O5.
What is the molecular weight of RefChem:326639?
The molecular weight of RefChem:326639 is 424.12 g/mol.
Where can I buy RefChem:326639?
You can request a quote for RefChem:326639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:326639?
Yes, KEHONG BIO provides custom synthesis services for RefChem:326639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.