![Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium structure](/static/products/6833/6833-52-9.webp)
Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium
TL;DR: Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium (CAS 6833-52-9) is a chemical compound with molecular formula C13H18F3N2O+ and molecular weight 275.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium
Also Known As: diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium, N,N-Diethyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethan-1-aminium
| Molecular Formula | C13H18F3N2O+ |
|---|---|
| Molecular Weight | 275.14 g/mol |
| LogP | 1.5686 |
| Topological Polar Surface Area | 33.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.13712 |
| Heavy Atoms | 19 |
| Complexity | 428.14166 |
Chemical Identifiers
| CAS Number | 6833-52-9 |
|---|---|
| SMILES | CC[NH+](CC)CC(=O)NC1=CC=CC(=C1)C(F)(F)F |
Product Overview
Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium (CAS 6833-52-9), with molecular formula C13H18F3N2O+ and molecular weight 275.14 g/mol. IUPAC: diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium.
Chemical Property Profile of Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium
Property Insights of Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium
The XLogP value of 1.5686 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium. With a topological polar surface area (TPSA) of 33.54 Ų, Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium has 2 hydrogen bond donor(s) and 1 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 Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium?
The CAS number of Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium is 6833-52-9.
What is the molecular formula of Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium?
The molecular formula of Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium is C13H18F3N2O+.
What is the molecular weight of Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium?
The molecular weight of Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium is 275.14 g/mol.
Where can I buy Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium?
You can request a quote for Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium?
Yes, KEHONG BIO provides custom synthesis services for Diethyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.