4,6-Bis(benzamido)isophthalic acid

Base Information

• Chemical Name: 4,6-Bis(benzamido)isophthalic acid
• CAS No.: 70553-45-6
• Molecular Formula: C22H16N2O6
• Molecular Weight: 404.37200
• European Community (EC) Number: 635-331-5
• UNII: R4HH3BUP3T
• DSSTox Substance ID: DTXSID00402343
• Wikidata: Q27088064
• Pharos Ligand ID: 9RRNMUR2M1S7
• ChEMBL ID: CHEMBL156717
• Mol file: 70553-45-6.mol

Synonyms:5-carboxyl-2,4-di-benzamidobenzoic acid;NS3763

Chemical Property of 4,6-Bis(benzamido)isophthalic acid

Chemical Property:

• Vapor Pressure: 1.91E-10mmHg at 25°C
• Boiling Point: 490.7oC at 760 mmHg
• Flash Point: 250.6oC
• PSA: 132.80000
• Density: 1.485g/cm3
• LogP: 3.73360
• Storage Temp.: 2-8°C
• Solubility.: DMSO: ~24 mg/mL
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 404.10083623
• Heavy Atom Count: 30
• Complexity: 600

Purity/Quality:

99.90% ^*data from raw suppliers

NS 3763 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi,N
• Statements: 36/37/38-50/53
• Safety Statements: 26-36-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2C(=O)O)C(=O)O)NC(=O)C3=CC=CC=C3
• Uses: NS 3763 is a selective non-competitive kainate receptor antagonist.