Abaperidone

Base Information

• Chemical Name: Abaperidone
• CAS No.: 183849-43-6
• Molecular Formula: C25H25 F N2 O5
• Molecular Weight: 452.47
• UNII: 40755Z8956
• DSSTox Substance ID: DTXSID20171488
• Nikkaji Number: J1.087.326F
• Wikidata: Q27258299
• NCI Thesaurus Code: C73280
• Pharos Ligand ID: Y3JUUZTL5CF9
• ChEMBL ID: CHEMBL151475
• Mol file: 183849-43-6.mol

Synonyms:7-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)propoxy)-3-(hydroxymethyl)chromen-4-one;abaperidone;FI 8602;FI-8602

Chemical Property of Abaperidone

Chemical Property:

• Vapor Pressure: 1.02E-18mmHg at 25°C
• Boiling Point: 667.3°Cat760mmHg
• PKA: 13.48±0.10(Predicted)
• Flash Point: 357.4°C
• PSA: 88.94000
• Density: 1.32g/cm³
• LogP: 4.15200
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 452.17475006
• Heavy Atom Count: 33
• Complexity: 713

Purity/Quality:

99% ^*data from raw suppliers

7-(3-[4-(6-FLUORO-1,2-BENZOXAZOL-3-YL)PIPERIDIN-1-YL]PROPOXY)-3-(HYDROXYMETHYL)-4H-CHROMEN-4-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCOC4=CC5=C(C=C4)C(=O)C(=CO5)CO