![2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one structure](/static/products/894/894065-12-4.png)
2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
TL;DR: 2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one (CAS 894065-12-4) is a chemical compound with molecular formula C23H21N5OS and molecular weight 415.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]ethanone
Also Known As: 2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one, F2506-0800, 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]ethanone, 1-({[6-(4-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]thio}acetyl)-1,2,3,4-tetrahydroquinoline, 1-(3,4-Dihydroquinolin-1(2H)-yl)-2-((6-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)ethan-1-one
| Molecular Formula | C23H21N5OS |
|---|---|
| Molecular Weight | 415.15 g/mol |
| LogP | 4.17122 |
| Topological Polar Surface Area | 63.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.14667 |
| Heavy Atoms | 30 |
| Complexity | 1217.9858 |
Chemical Identifiers
| CAS Number | 894065-12-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN3C(=NN=C3SCC(=O)N4CCCC5=CC=CC=C54)C=C2 |
Product Overview
2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one (CAS 894065-12-4), with molecular formula C23H21N5OS and molecular weight 415.15 g/mol. IUPAC: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
Property Insights of 2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
The XLogP value of 4.17122 indicates that 2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one. Following Lipinski's Rule of Five, 2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one has 0 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-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one?
The CAS number of 2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one is 894065-12-4.
What is the molecular formula of 2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one?
The molecular formula of 2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one is C23H21N5OS.
What is the molecular weight of 2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one?
The molecular weight of 2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one is 415.15 g/mol.
Where can I buy 2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one?
You can request a quote for 2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.