![N-[2-(6-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide structure](/static/products/872/872994-51-9.png)
N-[2-(6-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide
TL;DR: N-[2-(6-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide (CAS 872994-51-9) is a chemical compound with molecular formula C22H19N5O2S and molecular weight 417.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(6-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide
Also Known As: F2007-0114, N-(2-{6-[(2-oxo-2-phenylethyl)sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)benzamide, N-(2-(6-((2-oxo-2-phenylethyl)thio)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)benzamide, N-[2-(6-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide
| Molecular Formula | C22H19N5O2S |
|---|---|
| Molecular Weight | 417.13 g/mol |
| LogP | 3.0718 |
| Topological Polar Surface Area | 89.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.12595 |
| Heavy Atoms | 30 |
| Complexity | 1162.1051 |
Chemical Identifiers
| CAS Number | 872994-51-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NN3C(=NN=C3CCNC(=O)C4=CC=CC=C4)C=C2 |
Product Overview
N-[2-(6-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide (CAS 872994-51-9), with molecular formula C22H19N5O2S and molecular weight 417.13 g/mol. IUPAC: N-[2-(6-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide.
Chemical Property Profile of N-[2-(6-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide
Property Insights of N-[2-(6-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide
The XLogP value of 3.0718 indicates that N-[2-(6-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.25 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(6-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide. Following Lipinski's Rule of Five, N-[2-(6-phenacylsulfanyl-[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-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide?
The CAS number of N-[2-(6-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide is 872994-51-9.
What is the molecular formula of N-[2-(6-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide?
The molecular formula of N-[2-(6-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide is C22H19N5O2S.
What is the molecular weight of N-[2-(6-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide?
The molecular weight of N-[2-(6-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide is 417.13 g/mol.
Where can I buy N-[2-(6-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide?
You can request a quote for N-[2-(6-phenacylsulfanyl-[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-phenacylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(6-phenacylsulfanyl-[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.