![2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate structure](/static/products/3389/338968-33-5.webp)
2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate
TL;DR: 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate (CAS 338968-33-5) is a chemical compound with molecular formula C17H12Cl2F3N3O2 and molecular weight 417.03 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] 4-chlorobenzoate
Also Known As: 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate, [1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3-cyanopropan-2-yl] 4-chlorobenzoate, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl 4-chlorobenzoate, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl4-chlorobenzoate
| Molecular Formula | C17H12Cl2F3N3O2 |
|---|---|
| Molecular Weight | 417.03 g/mol |
| LogP | 4.95838 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.02588 |
| Heavy Atoms | 27 |
| Complexity | 851.9826 |
Chemical Identifiers
| CAS Number | 338968-33-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC(CC#N)CNC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl |
Product Overview
2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate (CAS 338968-33-5), with molecular formula C17H12Cl2F3N3O2 and molecular weight 417.03 g/mol. IUPAC: [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] 4-chlorobenzoate.
Chemical Property Profile of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate
Property Insights of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate
The XLogP value of 4.95838 indicates that 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate 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 4-chlorobenzenecarboxylate. Following Lipinski's Rule of Five, 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate has 1 hydrogen bond donor(s) and 5 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-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate?
The CAS number of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate is 338968-33-5.
What is the molecular formula of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate?
The molecular formula of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate is C17H12Cl2F3N3O2.
What is the molecular weight of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate?
The molecular weight of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate is 417.03 g/mol.
Where can I buy 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate?
You can request a quote for 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate 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 4-chlorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 4-chlorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.