![Ethyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate structure](/static/products/852/852375-98-5.png)
Ethyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate
TL;DR: Ethyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate (CAS 852375-98-5) is a chemical compound with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetate
Also Known As: AB00672063-01, ethyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate, F0676-0579, ethyl 2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetate, ethyl 2-{[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetate
| Molecular Formula | C16H16N4O2S |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 2.75492 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.0994 |
| Heavy Atoms | 23 |
| Complexity | 829.71747 |
Chemical Identifiers
| CAS Number | 852375-98-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN2C(=NN=C2C3=CC=C(C=C3)C)C=C1 |
Product Overview
Ethyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate (CAS 852375-98-5), with molecular formula C16H16N4O2S and molecular weight 328.10 g/mol. IUPAC: ethyl 2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate
Property Insights of Ethyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate
The XLogP value of 2.75492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate. Following Lipinski's Rule of Five, Ethyl 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 Ethyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
The CAS number of Ethyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate is 852375-98-5.
What is the molecular formula of Ethyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
The molecular formula of Ethyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate is C16H16N4O2S.
What is the molecular weight of Ethyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
The molecular weight of Ethyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate is 328.10 g/mol.
Where can I buy Ethyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
You can request a quote for Ethyl 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 Ethyl 2-((3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 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.