3-(Benzyloxy)-2-methylpyridin-4(1H)-one

Cat. No.: PI61160187

Product Details Other Identifiers Computed Properties

CAS	61160-18-7
Purity	97%
Molecular Formula	C13H13NO2
Molecular Weight	215.25
Molar Refractivity	63.01

Pubchem ID	2726416
InChI Key	WBKGCSWOAILTET-UHFFFAOYSA-N
MDL Number	MFCD00215656

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	3
Topological Polar Surface Area	42.09 Å²
Heavy Atom Count	16
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.15
Log Po/w (iLOGP)	2.18
Log Po/w (XLOGP3)	2.19
Log Po/w (WLOGP)	2.11
Log Po/w (MLOGP)	1.07
Log Po/w (SILICOS-IT)	3.47
Consensus Log Po/w	2.2
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.06 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	2.19

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