![2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate structure](/static/products/3390/339016-35-2.webp)
2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate
TL;DR: 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate (CAS 339016-35-2) is a chemical compound with molecular formula C18H12ClF6N3O2 and molecular weight 451.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] 3-(trifluoromethyl)benzoate
Also Known As: 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate, [1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3-cyanopropan-2-yl] 3-(trifluoromethyl)benzoate, 1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3-cyanopropan-2-yl 3-(trifluoromethyl)benzoate, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl 3-(trifluoromethyl)benzoate, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl3-(trifluoromethyl)benzoate
| Molecular Formula | C18H12ClF6N3O2 |
|---|---|
| Molecular Weight | 451.05 g/mol |
| LogP | 5.32378 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.05222 |
| Heavy Atoms | 30 |
| Complexity | 956.1586 |
Chemical Identifiers
| CAS Number | 339016-35-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)OC(CC#N)CNC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate (CAS 339016-35-2), with molecular formula C18H12ClF6N3O2 and molecular weight 451.05 g/mol. IUPAC: [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate
Property Insights of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate
The XLogP value of 5.32378 indicates that 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate. Following Lipinski's Rule of Five, 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate?
The CAS number of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate is 339016-35-2.
What is the molecular formula of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate?
The molecular formula of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate is C18H12ClF6N3O2.
What is the molecular weight of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate?
The molecular weight of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate is 451.05 g/mol.
Where can I buy 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate?
You can request a quote for 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 3-(trifluoromethyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.