![Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate structure](/static/products/852/852376-03-5.png)
Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate
TL;DR: Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate (CAS 852376-03-5) is a chemical compound with molecular formula C21H18N4O2S and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetate
Also Known As: AB00672064-01, benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate, F0676-0584, benzyl 2-{[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetate, benzyl 2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetate
| Molecular Formula | C21H18N4O2S |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | 3.93522 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.11505 |
| Heavy Atoms | 28 |
| Complexity | 1094.5616 |
Chemical Identifiers
| CAS Number | 852376-03-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C3N2N=C(C=C3)SCC(=O)OCC4=CC=CC=C4 |
Product Overview
Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate (CAS 852376-03-5), with molecular formula C21H18N4O2S and molecular weight 390.12 g/mol. IUPAC: benzyl 2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetate.
Chemical Property Profile of Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate
Property Insights of Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate
The XLogP value of 3.93522 indicates that Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate. Following Lipinski's Rule of Five, Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate has 0 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 Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
The CAS number of Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate is 852376-03-5.
What is the molecular formula of Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
The molecular formula of Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate is C21H18N4O2S.
What is the molecular weight of Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
The molecular weight of Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate is 390.12 g/mol.
Where can I buy Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
You can request a quote for Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.