N-(4-chloroanilino)-N'-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanimidamide

Base Information

• Chemical Name: N-(4-chloroanilino)-N'-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanimidamide
• CAS No.: 934369-14-9
• Molecular Formula: C₁₈H₁₉Cl₂N₃O
• Molecular Weight: 364.274
• ChEMBL ID: CHEMBL4303550
• DSSTox Substance ID: DTXSID701132813
• Pharos Ligand ID: VBXB98D5XVWL
• Mol file: 934369-14-9.mol

Synonyms:1-(4-chlorophenylhydrazono)-1-(4-chlorophenylamino)-3,3-dimethyl-2-butanone;TY 52156;TY-52156;TY52156

Chemical Property of N-(4-chloroanilino)-N'-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanimidamide

Chemical Property:

• Melting Point: 90-91 °C
• Boiling Point: 62-69 °C(Press: 20 Torr)
• PKA: 0.99±0.50(Predicted)
• Density: 1.22±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: ≥92.8 mg/mL in DMSO; ≥94.6 mg/mL in EtOH; insoluble in H2O
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 363.0905176
• Heavy Atom Count: 24
• Complexity: 446

Purity/Quality:

99% ^*data from raw suppliers

TY 52156 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)C(=O)C(=NC1=CC=C(C=C1)Cl)NNC2=CC=C(C=C2)Cl
• Uses: TY 52156 is a sphingosine-1-phosphate receptor subtype 3 (S1PR3) antagonist, which is used for the treatment of lung cancer.

Technology Process of N-(4-chloroanilino)-N'-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanimidamide

There total 1 articles about N-(4-chloroanilino)-N'-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanimidamide 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:

→ 1-(4-chlorophenylamino)-1-(4-chlorophenylhydrazono)-3,3-dimethyl-2-butanone (934369-14-9)

Guidance literature:

Refernces