(3,5-Dimethyl-4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)boronic acid

Base Information

• Chemical Name: (3,5-Dimethyl-4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)boronic acid
• CAS No.: 1704068-75-6
• Molecular Formula: C13H21BN2O4S
• Molecular Weight: 312.2
• DSSTox Substance ID: DTXSID301145016
• Mol file: 1704068-75-6.mol

Synonyms:(3,5-dimethyl-4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)boronic acid;1704068-75-6;[3,5-dimethyl-4-(4-methylpiperazin-1-yl)sulfonylphenyl]boronic acid;{3,5-dimethyl-4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}boronic acid;starbld0017479;DTXSID301145016;AM88310;I12249;Boronic acid, B-[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-

Chemical Property of (3,5-Dimethyl-4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)boronic acid

Chemical Property:

• PKA: 8.16±0.18(Predicted)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 312.1315085
• Heavy Atom Count: 21
• Complexity: 434

Purity/Quality:

>96% ^*data from raw suppliers

(3,5-Dimethyl-4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)boronic acid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: B(C1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C)C)(O)O

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