4VQ8Rba9EW

Base Information

• Chemical Name: 4VQ8Rba9EW
• CAS No.: 175215-34-6
• Molecular Formula: C₁₃H₂₁N₅O₃S
• Molecular Weight: 327.407
• UNII: 4VQ8RBA9EW
• Nikkaji Number: J1.389.330F
• Mol file: 175215-34-6.mol

Synonyms:TAK-661;4VQ8RBA9EW;TAK 661;UNII-4VQ8RBA9EW;1-Propanesulfonamide, 2,2-dimethyl-3-((7-(1-methylethyl)(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)-;175215-34-6;2,2-Dimethyl-3-((7-(1-methylethyl)(1,2,4)triazolo(1,5-b)pyridazin-6-yl)oxy)-1-propanesulfonamide;SCHEMBL1983970

Chemical Property of 4VQ8Rba9EW

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 327.13651072
• Heavy Atom Count: 22
• Complexity: 477

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=CC2=NC=NN2N=C1OCC(C)(C)CS(=O)(=O)N

Technology Process of 4VQ8Rba9EW

There total 1 articles about 4VQ8Rba9EW which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-hydroxy-2,2-dimethyl-1-propanesulfonamide (132115-56-1) + 6-chloro-7-isopropyl[1,2,4]triazolo[1,5-b]pyridazine (175215-24-4) → 6-(2,2-dimethyl-3-sulfamoyl-1-propoxy)-7-isopropyl[1,2,4]triazolo[1,5-b]pyridazine (175215-34-6)

Guidance literature:

With sodium chloride; In tetrahydrofuran;

upstream raw materials:

3-hydroxy-2,2-dimethyl-1-propanesulfonamide

6-chloro-7-isopropyl[1,2,4]triazolo[1,5-b]pyridazine