![Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate structure](/static/products/868/868969-34-0.webp)
Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate
TL;DR: Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate (CAS 868969-34-0) is a chemical compound with molecular formula C19H15N5O2S and molecular weight 377.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
Also Known As: F1835-0346, benzyl 2-{[3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetate, benzyl [3-(3-pyridyl)-1,2,3a,4-tetraaza-5-indenylthio]acetate, benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate, benzyl 2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetate
Technical Specifications
| Molecular Formula | C19H15N5O2S |
| Molecular Weight | 377.09464 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.09464 Da |
| Heavy Atoms | 27 |
| Complexity | 491.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)CSC2=NN3C(=NN=C3C4=CN=CC=C4)C=C2 |
| InChIKey | NDEAHKDRNZKNSK-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate
Property Insights of Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate. Following Lipinski's Rule of Five, Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate 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
What is the CAS number of Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
The CAS number of Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate is 868969-34-0.
What is the molecular formula of Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
The molecular formula of Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate is C19H15N5O2S.
What is the molecular weight of Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
The molecular weight of Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate is 377.09464 g/mol.
Where can I buy Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
You can request a quote for Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate?
Yes, CoreyChem provides custom synthesis services for Benzyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.