![2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,6-difluorobenzenecarboxylate structure](/static/products/3383/338399-93-2.webp)
2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,6-difluorobenzenecarboxylate
TL;DR: 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,6-difluorobenzenecarboxylate (CAS 338399-93-2) is a chemical compound with molecular formula C17H11ClF5N3O2 and molecular weight 419.05 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] 2,6-difluorobenzoate
Also Known As: 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,6-difluorobenzenecarboxylate, [1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3-cyanopropan-2-yl] 2,6-difluorobenzoate, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl 2,6-difluorobenzoate, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl2,6-difluorobenzoate, 1-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-3-cyano-2-propanyl 2,6-difluorobenzoate
| Molecular Formula | C17H11ClF5N3O2 |
|---|---|
| Molecular Weight | 419.05 g/mol |
| LogP | 4.58318 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.046 |
| Heavy Atoms | 28 |
| Complexity | 894.3915 |
Chemical Identifiers
| CAS Number | 338399-93-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C(=O)OC(CC#N)CNC2=C(C=C(C=N2)C(F)(F)F)Cl)F |
Product Overview
2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,6-difluorobenzenecarboxylate (CAS 338399-93-2), with molecular formula C17H11ClF5N3O2 and molecular weight 419.05 g/mol. IUPAC: [1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyanopropan-2-yl] 2,6-difluorobenzoate.
Chemical Property Profile of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,6-difluorobenzenecarboxylate
Property Insights of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,6-difluorobenzenecarboxylate
The XLogP value of 4.58318 indicates that 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,6-difluorobenzenecarboxylate 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 2,6-difluorobenzenecarboxylate. Following Lipinski's Rule of Five, 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,6-difluorobenzenecarboxylate 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 2,6-difluorobenzenecarboxylate?
The CAS number of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,6-difluorobenzenecarboxylate is 338399-93-2.
What is the molecular formula of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,6-difluorobenzenecarboxylate?
The molecular formula of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,6-difluorobenzenecarboxylate is C17H11ClF5N3O2.
What is the molecular weight of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,6-difluorobenzenecarboxylate?
The molecular weight of 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,6-difluorobenzenecarboxylate is 419.05 g/mol.
Where can I buy 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,6-difluorobenzenecarboxylate?
You can request a quote for 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,6-difluorobenzenecarboxylate 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 2,6-difluorobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1-(cyanomethyl)ethyl 2,6-difluorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.