![[2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide structure](/static/products/896/896668-43-2.png)
[2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide
TL;DR: [2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide (CAS 896668-43-2) is a chemical compound with molecular formula C15H11FN6OS and molecular weight 342.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyanomethylsulfanyl)-N-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Also Known As: [2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide|2-((cyanomethyl)thio)-N-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|2-(cyanomethylsulfanyl)-N-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide|2-[(cyanomethyl)sulfanyl]-N-(4-fluorophenyl)-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
| Molecular Formula | C15H11FN6OS |
|---|---|
| Molecular Weight | 342.07 g/mol |
| LogP | 2.4398 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.06992 |
| Heavy Atoms | 24 |
| Complexity | 946.9929 |
Chemical Identifiers
| CAS Number | 896668-43-2 |
|---|---|
| SMILES | CC1=C(C=NC2=NC(=NN12)SCC#N)C(=O)NC3=CC=C(C=C3)F |
Product Overview
[2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide (CAS 896668-43-2), with molecular formula C15H11FN6OS and molecular weight 342.07 g/mol. IUPAC: 2-(cyanomethylsulfanyl)-N-(4-fluorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
Chemical Property Profile of [2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide
Property Insights of [2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide
The XLogP value of 2.4398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide. The TPSA of 95.97 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide. Following Lipinski's Rule of Five, [2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide has 1 hydrogen bond donor(s) and 6 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-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide?
The CAS number of [2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide is 896668-43-2.
What is the molecular formula of [2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide?
The molecular formula of [2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide is C15H11FN6OS.
What is the molecular weight of [2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide?
The molecular weight of [2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide is 342.07 g/mol.
Where can I buy [2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide?
You can request a quote for [2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide?
Yes, KEHONG BIO provides custom synthesis services for [2-(cyanomethylthio)-7-methyl(8-hydro-1,2,4-triazolo[1,5-a]pyrimidin-6-yl)]-N- (4-fluorophenyl)carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.