![2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one structure](/static/products/894/894065-07-7.png)
2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
TL;DR: 2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one (CAS 894065-07-7) is a chemical compound with molecular formula C18H17N5O3S and molecular weight 383.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
Also Known As: 2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one, F2506-1422, 2-[[6-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone, 6-(1,3-benzodioxol-5-yl)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)thio][1,2,4]triazolo[4,3-b]pyridazine, 2-((6-(benzo[d][1,3]dioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)-1-(pyrrolidin-1-yl)ethanone
| Molecular Formula | C18H17N5O3S |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 2.2345 |
| Topological Polar Surface Area | 81.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.10522 |
| Heavy Atoms | 27 |
| Complexity | 1015.3998 |
Chemical Identifiers
| CAS Number | 894065-07-7 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NN=C3N2N=C(C=C3)C4=CC5=C(C=C4)OCO5 |
Product Overview
2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one (CAS 894065-07-7), with molecular formula C18H17N5O3S and molecular weight 383.11 g/mol. IUPAC: 2-[[6-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone.
Chemical Property Profile of 2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Property Insights of 2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
The XLogP value of 2.2345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one. The TPSA of 81.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[6-(2H-1,3-benzodioxol-5-yl)-[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-(2H-1,3-benzodioxol-5-yl)-[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 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 2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one?
The CAS number of 2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one is 894065-07-7.
What is the molecular formula of 2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one?
The molecular formula of 2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one is C18H17N5O3S.
What is the molecular weight of 2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one?
The molecular weight of 2-{[6-(2H-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one is 383.11 g/mol.
Where can I buy 2-{[6-(2H-1,3-benzodioxol-5-yl)-[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-(2H-1,3-benzodioxol-5-yl)-[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-(2H-1,3-benzodioxol-5-yl)-[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-(2H-1,3-benzodioxol-5-yl)-[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.