2-Nitro-5-(phenylsulfonyl)phenyl 4-chlorobenzoate

Base Information

• Chemical Name: 2-Nitro-5-(phenylsulfonyl)phenyl 4-chlorobenzoate
• CAS No.: 219793-45-0
• Molecular Formula: C19H12ClNO6S
• Molecular Weight: 417.81968
• European Community (EC) Number: 808-984-0
• ChEMBL ID: CHEMBL4303674
• Mol file: 219793-45-0.mol

Synonyms:2-nitro-5-(phenylsulfonyl)phenyl 4-chlorobenzoate;BTB06584;CCG-42771

Chemical Property of 2-Nitro-5-(phenylsulfonyl)phenyl 4-chlorobenzoate

Chemical Property:

• Boiling Point: 664.8±55.0 °C(Predicted)
• PSA: 114.64000
• Density: 1.466±0.06 g/cm3(Predicted)
• LogP: 5.90420
• Solubility.: <2.47 mg/mL in EtOH insoluble in; ≥17.05 mg/mL in DMSO; insoluble in H2O
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 417.0073860
• Heavy Atom Count: 28
• Complexity: 659

Purity/Quality:

99%+, ^*data from raw suppliers

BTB06584 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)Cl
• Uses: BTB06584 is F1 Fo-ATPase inhibitor. It can be used in biological study of novel acetohydroxyacid synthase inhibitors as active agents against Mycobacterium tuberculosis.