Afatinib

• Catalog: OFC439081182
• CAS: 439081-18-2
• Category: Fluorinated APIs
• Synonyms: (S,E)-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)-4-(dimethylamino)but-2-enamide; Tovok
• Purity: 98%

• IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
• InChI: InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
• InChI Key: ULXXDDBFHOBEHA-CWDCEQMOSA-N
• Isomeric SMILES: CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4
• EC Number: 810-720-4

• Molecular Formula: C24H25ClFN5O3
• Molecular Weight: 485.94

• XLogP3-AA: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 485.1629955 g/mol
• Monoisotopic Mass: 485.1629955 g/mol
• Topological Polar Surface Area: 88.6Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 702