![N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide structure](/static/products/893/893993-40-3.png)
N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide
TL;DR: N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide (CAS 893993-40-3) is a chemical compound with molecular formula C16H14N6OS and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[6-(cyanomethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
Also Known As: F2007-0109, N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide, N-(2-{6-[(cyanomethyl)sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)benzamide, N-[2-[6-(cyanomethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
| Molecular Formula | C16H14N6OS |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 1.71248 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.09497 |
| Heavy Atoms | 24 |
| Complexity | 886.46906 |
Chemical Identifiers
| CAS Number | 893993-40-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCCC2=NN=C3N2N=C(C=C3)SCC#N |
Product Overview
N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide (CAS 893993-40-3), with molecular formula C16H14N6OS and molecular weight 338.09 g/mol. IUPAC: N-[2-[6-(cyanomethylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide.
Chemical Property Profile of N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide
Property Insights of N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide
The XLogP value of 1.71248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide. The TPSA of 95.97 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide. Following Lipinski's Rule of Five, N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide 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 N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide?
The CAS number of N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide is 893993-40-3.
What is the molecular formula of N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide?
The molecular formula of N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide is C16H14N6OS.
What is the molecular weight of N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide?
The molecular weight of N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide is 338.09 g/mol.
Where can I buy N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide?
You can request a quote for N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(6-((cyanomethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.