![2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone structure](/static/products/852/852437-28-6.png)
2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone
TL;DR: 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone (CAS 852437-28-6) is a chemical compound with molecular formula C25H26N6O3S and molecular weight 490.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone, 2-{[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one, 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone, 2-[3-(3,4-dimethoxyphenyl)-1,2,3a,4-tetraaza-5-indenylthio]-1-(4-phenyl-1-piperazinyl)-1-ethanone, 3-(3,4-dimethoxyphenyl)-6-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thio}[1,2,4]triazolo[4,3-b]pyridazine
| Molecular Formula | C25H26N6O3S |
|---|---|
| Molecular Weight | 490.18 g/mol |
| LogP | 3.2494 |
| Topological Polar Surface Area | 85.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.1787 |
| Heavy Atoms | 35 |
| Complexity | 1321.5437 |
Chemical Identifiers
| CAS Number | 852437-28-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5)OC |
Product Overview
2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone (CAS 852437-28-6), with molecular formula C25H26N6O3S and molecular weight 490.18 g/mol. IUPAC: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone
Property Insights of 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone
The XLogP value of 3.2494 indicates that 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone has 0 hydrogen bond donor(s) and 8 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-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone?
The CAS number of 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone is 852437-28-6.
What is the molecular formula of 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular formula of 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone is C25H26N6O3S.
What is the molecular weight of 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular weight of 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone is 490.18 g/mol.
Where can I buy 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone?
You can request a quote for 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.