Adoprazine

Base Information

• Chemical Name: Adoprazine
• CAS No.: 222551-17-9
• Molecular Formula: C24H24 F N3 O2
• Molecular Weight: 405.46
• UNII: 7SNB18Q89D
• DSSTox Substance ID: DTXSID40944914
• Nikkaji Number: J1.876.809G
• Wikidata: Q27268795
• NCI Thesaurus Code: C81482
• Pharos Ligand ID: R8GDZL1L5MDR
• ChEMBL ID: CHEMBL221692
• Mol file: 222551-17-9.mol

Synonyms:1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-((5-(4-fluorophenyl)-3-pyridinyl)methyl)piperazine;SLV 313;SLV-313;SLV313

Chemical Property of Adoprazine

Chemical Property:

• Boiling Point: 565.0±50.0 °C(Predicted)
• PKA: 6.07±0.10(Predicted)
• PSA: 37.83000
• Density: 1.256
• LogP: 3.98400
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 405.18525518
• Heavy Atom Count: 30
• Complexity: 537

Purity/Quality:

99% ^*data from raw suppliers

Adoprazine >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1CC2=CC(=CN=C2)C3=CC=C(C=C3)F)C4=C5C(=CC=C4)OCCO5