![1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate structure](/static/products/5669/566902-91-8.webp)
1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate
TL;DR: 1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate (CAS 566902-91-8) is a chemical compound with molecular formula C16H12ClF3N2O3 and molecular weight 372.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-chloropyridine-3-carboxylate
Also Known As: AB00738787-01, [1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-chloropyridine-3-carboxylate, 1-{[3-(trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate
| Molecular Formula | C16H12ClF3N2O3 |
|---|---|
| Molecular Weight | 372.05 g/mol |
| LogP | 3.9378 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.04886 |
| Heavy Atoms | 25 |
| Complexity | 796.1896 |
Chemical Identifiers
| CAS Number | 566902-91-8 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)OC(=O)C2=C(N=CC=C2)Cl |
Product Overview
1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate (CAS 566902-91-8), with molecular formula C16H12ClF3N2O3 and molecular weight 372.05 g/mol. IUPAC: [1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of 1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate
Property Insights of 1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate
The XLogP value of 3.9378 indicates that 1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, 1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate?
The CAS number of 1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate is 566902-91-8.
What is the molecular formula of 1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate?
The molecular formula of 1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate is C16H12ClF3N2O3.
What is the molecular weight of 1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate?
The molecular weight of 1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate is 372.05 g/mol.
Where can I buy 1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate?
You can request a quote for 1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-{[3-(Trifluoromethyl)phenyl]carbamoyl}ethyl 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.