Cobimetinib

• Catalog: OFC934660932
• CAS: 934660-93-2
• Category: Fluorinated APIs
• Synonyms: GDC-0973; RG7420; XL-518;EUI; Cobimetinib; [3,4-Bis(Fluoranyl)-2-[(2-Fluoranyl-4-Iodanyl-Phenyl)amino]phenyl]-[3-Oxidanyl-3-[(2s)-Piperidin-2-Yl]azetidin-1-Yl]methanone
• Purity: 98%

• IUPAC Name: [3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl]methanone
• InChI: InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1
• InChI Key: BSMCAPRUBJMWDF-KRWDZBQOSA-N
• Isomeric SMILES: C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O

• Molecular Formula: C21H21F3IN3O2
• Molecular Weight: 531.31
• Density: 1.706 g/cm3

• XLogP3-AA: 3.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 531.06306 g/mol
• Monoisotopic Mass: 531.06306 g/mol
• Topological Polar Surface Area: 64.6Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 624