Dacomitinib

• Catalog: OFC1110813314
• CAS: 1110813-31-4
• Category: Fluorinated APIs
• Purity: >98%
• MDL Number: MFCD19443734

• IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide
• InChI: InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
• InChI Key: LVXJQMNHJWSHET-AATRIKPKSA-N
• Isomeric SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4

• Molecular Formula: C24H25ClFN5O2
• Molecular Weight: 469.94

• XLogP3-AA: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 469.1680809 g/mol
• Monoisotopic Mass: 469.1680809 g/mol
• Topological Polar Surface Area: 79.4Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 665