![Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate structure](/static/products/852/852374-31-3.png)
Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate
TL;DR: Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate (CAS 852374-31-3) is a chemical compound with molecular formula C16H15FN4O2S and molecular weight 346.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]butanoate
Also Known As: methyl 2-((3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate, methyl 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]butanoate, methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate, methyl 2-{[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}butanoate, 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]butanoic acid methyl ester
| Molecular Formula | C16H15FN4O2S |
|---|---|
| Molecular Weight | 346.09 g/mol |
| LogP | 2.9741 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.08997 |
| Heavy Atoms | 24 |
| Complexity | 866.14484 |
Chemical Identifiers
| CAS Number | 852374-31-3 |
|---|---|
| SMILES | CCC(C(=O)OC)SC1=NN2C(=NN=C2C3=CC=C(C=C3)F)C=C1 |
Product Overview
Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate (CAS 852374-31-3), with molecular formula C16H15FN4O2S and molecular weight 346.09 g/mol. IUPAC: methyl 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]butanoate.
Chemical Property Profile of Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate
Property Insights of Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate
The XLogP value of 2.9741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate. Following Lipinski's Rule of Five, Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate 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 Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate?
The CAS number of Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate is 852374-31-3.
What is the molecular formula of Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate?
The molecular formula of Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate is C16H15FN4O2S.
What is the molecular weight of Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate?
The molecular weight of Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate is 346.09 g/mol.
Where can I buy Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate?
You can request a quote for Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.