![3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine structure](/static/products/894/894048-50-1.png)
3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
TL;DR: 3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CAS 894048-50-1) is a chemical compound with molecular formula C17H14N4S2 and molecular weight 338.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
Also Known As: 3-((4-methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine, F2507-0115, 3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine, 3-{[(4-methylphenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
| Molecular Formula | C17H14N4S2 |
|---|---|
| Molecular Weight | 338.07 g/mol |
| LogP | 4.45352 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.06598 |
| Heavy Atoms | 23 |
| Complexity | 927.05914 |
Chemical Identifiers
| CAS Number | 894048-50-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NN=C3N2N=C(C=C3)C4=CC=CS4 |
Product Overview
3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CAS 894048-50-1), with molecular formula C17H14N4S2 and molecular weight 338.07 g/mol. IUPAC: 3-[(4-methylphenyl)methylsulfanyl]-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
Chemical Property Profile of 3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
Property Insights of 3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
The XLogP value of 4.45352 indicates that 3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, 3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine 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 3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The CAS number of 3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine is 894048-50-1.
What is the molecular formula of 3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The molecular formula of 3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine is C17H14N4S2.
What is the molecular weight of 3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The molecular weight of 3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine is 338.07 g/mol.
Where can I buy 3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
You can request a quote for 3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Methylbenzyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.