![Ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate structure](/static/products/852/852374-29-9.png)
Ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate
TL;DR: Ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate (CAS 852374-29-9) 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.
ethyl 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propanoate
Also Known As: ethyl 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propanoate, ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate, ethyl 2-{[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}propanoate, ethyl 2-((3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)propanoate, 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]propanoic acid ethyl 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 | 852374-29-9 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NN2C(=NN=C2C3=CC=C(C=C3)F)C=C1 |
Product Overview
Ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate (CAS 852374-29-9), with molecular formula C16H15FN4O2S and molecular weight 346.09 g/mol. IUPAC: ethyl 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propanoate.
Chemical Property Profile of Ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate
Property Insights of Ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate
The XLogP value of 2.9741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate. Following Lipinski's Rule of Five, Ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate 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-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate?
The CAS number of Ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate is 852374-29-9.
What is the molecular formula of Ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate?
The molecular formula of Ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate is C16H15FN4O2S.
What is the molecular weight of Ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate?
The molecular weight of Ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate is 346.09 g/mol.
Where can I buy Ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate?
You can request a quote for Ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate 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-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{[3-(4-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.