Bepafant

Base Information

• Chemical Name: Bepafant
• CAS No.: 114776-28-2
• Molecular Formula: C23H22 Cl N5 O2 S
• Molecular Weight: 467.979
• UNII: CKS724B66O
• DSSTox Substance ID: DTXSID10869589
• Nikkaji Number: J367.302B
• Wikidata: Q27075103
• NCI Thesaurus Code: C77947
• ChEMBL ID: CHEMBL325439
• Mol file: 114776-28-2.mol

Synonyms:6-(2-chlorophenyl)-8,9-dihydro-1-methyl-8-(4-morpholinylcarbonyl)-4H,7H-cyclopenta(4,5)thieno(3,5-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine;bepafant;WEB 2170;WEB-2170;WEB2170

Chemical Property of Bepafant

Chemical Property:

• Vapor Pressure: 4.86E-22mmHg at 25°C
• Boiling Point: 744.5°Cat760mmHg
• PKA: 2.27±0.60(Predicted)
• Flash Point: 404.1°C
• PSA: 100.85000
• Density: 1.59g/cm³
• LogP: 2.58870
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 467.1182738
• Heavy Atom Count: 32
• Complexity: 765

Purity/Quality:

Bepafant ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C2N1C3=C(C4=C(S3)CC(C4)C(=O)N5CCOCC5)C(=NC2)C6=CC=CC=C6Cl
• Uses: Bepafant is a selective hetrazepinoic antagonist of platelet activating factor (PAF).