![2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one structure](/static/products/894/894058-32-3.png)
2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
TL;DR: 2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one (CAS 894058-32-3) is a chemical compound with molecular formula C17H16FN5OS and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: 2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one, 2-((6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone, 2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
| Molecular Formula | C17H16FN5OS |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 2.6449 |
| Topological Polar Surface Area | 63.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.10596 |
| Heavy Atoms | 25 |
| Complexity | 905.0471 |
Chemical Identifiers
| CAS Number | 894058-32-3 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC=C(C=C4)F |
Product Overview
2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one (CAS 894058-32-3), with molecular formula C17H16FN5OS and molecular weight 357.11 g/mol. IUPAC: 2-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Property Insights of 2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
The XLogP value of 2.6449 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one. The TPSA of 63.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one. Following Lipinski's Rule of Five, 2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one has 0 hydrogen bond donor(s) and 5 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 2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one?
The CAS number of 2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one is 894058-32-3.
What is the molecular formula of 2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one?
The molecular formula of 2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one is C17H16FN5OS.
What is the molecular weight of 2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one?
The molecular weight of 2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one is 357.11 g/mol.
Where can I buy 2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one?
You can request a quote for 2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.