![[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate structure](/static/products/5652/565200-77-3.webp)
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate
TL;DR: [2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate (CAS 565200-77-3) is a chemical compound with molecular formula C13H14F3NO3 and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate
Also Known As: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate|2-Oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl 4-ethylbenzoate|MLS001005979|SMR000384230
| Molecular Formula | C13H14F3NO3 |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 2.0843 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.0926 |
| Heavy Atoms | 20 |
| Complexity | 468.74487 |
Chemical Identifiers
| CAS Number | 565200-77-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)OCC(=O)NCC(F)(F)F |
Product Overview
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate (CAS 565200-77-3), with molecular formula C13H14F3NO3 and molecular weight 289.09 g/mol. IUPAC: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate.
Chemical Property Profile of [2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate
Property Insights of [2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate
The XLogP value of 2.0843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate. With a topological polar surface area (TPSA) of 55.4 Ų, [2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate has 1 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 [2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate?
The CAS number of [2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate is 565200-77-3.
What is the molecular formula of [2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate?
The molecular formula of [2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate is C13H14F3NO3.
What is the molecular weight of [2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate?
The molecular weight of [2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate is 289.09 g/mol.
Where can I buy [2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate?
You can request a quote for [2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.