(S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one

(S)-2-(Benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one

Cat. No.: PI122151320

Product Details Other Identifiers Computed Properties
CAS 122151-32-0
Purity 95%
Molecular Formula C14H19NO2
Molecular Weight 233.31
Molar Refractivity 71.04
Pubchem ID 10879038
InChI Key TVZLBOSPKGJOTA-LBPRGKRZSA-N
MDL Number MFCD16618590
Hydrogen Bond Donor Count 0.0
Hydrogen Bond Acceptor Count 2.0
Rotatable Bond Count 5
Topological Polar Surface Area 29.54 Ų
Heavy Atom Count 17
Aromatic Heavy Atoms Number 6
Fraction Csp3 0.5
Log Po/w (iLOGP) 2.84
Log Po/w (XLOGP3) 1.99
Log Po/w (WLOGP) 1.68
Log Po/w (MLOGP) 1.72
Log Po/w (SILICOS-IT) 2.58
Consensus Log Po/w 2.16
GI Absorption High
BBB Permeant Yes
P-gp Substrate No
CYP1A2Inhibitor No
CYP2C19Inhibitor No
CYP2C9Inhibitor No
CYP2D6Inhibitor No
CYP3A4Inhibitor No
Log Kp (Skin Permeation) -6.31 cm/s
Lipinski 0.0
Ghose None
Veber 0.0
Egan 0.0
Muegge 0.0
Bioavailability Score 0.55
PAINS 0.0 alert
Brenk 0.0 alert
Leadlikeness 1.0
Synthetic Accessibility 2.22

* Our products are for research use only.

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