Organofluorine / Alfa Chemistry
5-(4-Fluorophenyl)-1-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide

5-(4-Fluorophenyl)-1-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide

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5-(4-Fluorophenyl)-1-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide
Catalog OFC125995031
CAS 125995-03-1
Category Fluorinated Amides
Synonyms Atorvastatin lactone
Purity 96%
MDL Number MFCD00899262
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Chemical Data Computational Chemistry Health Safety
Molecular Formula C33H33FN2O4
Molecular Weight 540.62
Molar Refractivity 154.49
Bioavailability Score 0.17
Egan 1.0
Ghose None
Lipinski 2.0
Muegge 1.0
Veber 0.0
Consensus LogP 5.51
MLogP 4.28
SILICOS-IT 6.41
WLogP 7.02
XLogP3 5.74
iLogP 4.11
BBB Permeant No
CYP1A2 Inhibitor No
CYP2C19 Inhibitor Yes
CYP2C9 Inhibitor Yes
CYP2D6 Inhibitor Yes
CYP3A4 Inhibitor Yes
GI Absorption Low
LogKp -5.52 cm/s
P-gp Substrate Yes
Fraction Csp3 0.27
GHS Pictogram GHS07
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305+P351+P338

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