2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
TL;DR: 2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 799771-48-5) is a chemical compound with molecular formula C22H13ClF3N5OS and molecular weight 487.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-amino-4-(2-chlorophenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-[6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{[6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C22H13ClF3N5OS |
|---|---|
| Molecular Weight | 487.05 g/mol |
| LogP | 5.47716 |
| Topological Polar Surface Area | 115.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.04816 |
| Heavy Atoms | 33 |
| Complexity | 1314.8492 |
Chemical Identifiers
| CAS Number | 799771-48-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)N)C#N)Cl |
Product Overview
2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 799771-48-5), with molecular formula C22H13ClF3N5OS and molecular weight 487.05 g/mol. IUPAC: 2-[[6-amino-4-(2-chlorophenyl)-3,5-dicyano-2-pyridinyl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
Property Insights of 2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
The XLogP value of 5.47716 indicates that 2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide. Following Lipinski's Rule of Five, 2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide?
The CAS number of 2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide is 799771-48-5.
What is the molecular formula of 2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide?
The molecular formula of 2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide is C22H13ClF3N5OS.
What is the molecular weight of 2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide?
The molecular weight of 2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide is 487.05 g/mol.
Where can I buy 2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide?
You can request a quote for 2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-amino-4-(2-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.