4-(Methylsulfonyl)-3-piperazinobenzoic acid

Base Information

• Chemical Name: 4-(Methylsulfonyl)-3-piperazinobenzoic acid
• CAS No.: 1197193-03-5
• Molecular Formula: C12H16N2O4S
• Molecular Weight: 284.33
• Mol file: 1197193-03-5.mol

Synonyms:4-(methylsulfonyl)-3-piperazinobenzoic acid;1197193-03-5;4-(Methylsulfonyl)-3-(piperazin-1-yl)benzoic acid;MFCD13191609;4-methylsulfonyl-3-piperazin-1-ylbenzoic acid;XXB19303;AC3166;AKOS022183483;SY006914;4-(Methylsulfonyl)-3-piperazinobenzoicAcid;CS-0338805;FT-0767926;A892476

Chemical Property of 4-(Methylsulfonyl)-3-piperazinobenzoic acid

Chemical Property:

• PKA: 3.69±0.10(Predicted)
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 284.08307817
• Heavy Atom Count: 19
• Complexity: 426

Purity/Quality:

98%min ^*data from raw suppliers

4-(Methylsulfonyl)-3-piperazinobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=C(C=C(C=C1)C(=O)O)N2CCNCC2