(4R,6S)-6-((E)-2-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)vinyl)-4-hydroxytetrahydro-2H-pyran-2-one

• Catalog: OFC141750632
• CAS: 141750-63-2
• Category: Fluorinated Quinolines
• Synonyms: Pitavastatin Lactone
• Purity: 99%
• MDL Number: MFCD09841193

• IUPAC Name: (4R,6S)-6-[(E)-2-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]ethenyl]-4-hydroxyoxan-2-one
• InChI: InChI=1S/C25H22FNO3/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-19-13-18(28)14-23(29)30-19/h1-4,7-12,16,18-19,28H,5-6,13-14H2/b12-11+/t18-,19-/m1/s1
• InChI Key: XJVKVAFYQRWVAJ-MCBHFWOFSA-N
• Isomeric SMILES: C1CC1C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H]4C[C@H](CC(=O)O4)O)C5=CC=C(C=C5)F

• Molecular Formula: C25H22FNO3
• Molecular Weight: 403.45
• Storage: Sealed in dry, 2-8 °C

• XLogP3-AA: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 403.15837173 g/mol
• Monoisotopic Mass: 403.15837173 g/mol
• Topological Polar Surface Area: 59.4Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 642