![ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate structure](/static/products/852/852375-24-7.png)
ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate
TL;DR: ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate (CAS 852375-24-7) is a chemical compound with molecular formula C17H15FN4O3S and molecular weight 374.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate
Also Known As: ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate, ethyl 4-{[3-(3-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio}-3-oxobutanoate, ethyl 4-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-3-oxobutanoate, ethyl 4-{[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-3-oxobutanoate, 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-3-keto-butyric acid ethyl ester
| Molecular Formula | C17H15FN4O3S |
|---|---|
| Molecular Weight | 374.08 g/mol |
| LogP | 2.5448 |
| Topological Polar Surface Area | 86.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.0849 |
| Heavy Atoms | 26 |
| Complexity | 960.08594 |
Chemical Identifiers
| CAS Number | 852375-24-7 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NN2C(=NN=C2C3=CC(=CC=C3)F)C=C1 |
Product Overview
ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate (CAS 852375-24-7), with molecular formula C17H15FN4O3S and molecular weight 374.08 g/mol. IUPAC: ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate.
Chemical Property Profile of ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate
Property Insights of ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate
The XLogP value of 2.5448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate. The TPSA of 86.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate. Following Lipinski's Rule of Five, ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate has 0 hydrogen bond donor(s) and 7 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 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate?
The CAS number of ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate is 852375-24-7.
What is the molecular formula of ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate?
The molecular formula of ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate is C17H15FN4O3S.
What is the molecular weight of ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate?
The molecular weight of ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate is 374.08 g/mol.
Where can I buy ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate?
You can request a quote for ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[[3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.