3-(Dimethylamino)-1-(naphthalen-1-yl)propan-1-one

Name: 3-(Dimethylamino)-1-(naphthalen-1-yl)propan-1-one
SKU: PI10320497
Rating: 5 (1 reviews)

Cat. No.: PI10320497

Product Details Other Identifiers Computed Properties

CAS	10320-49-7
Purity	97%
Molecular Formula	C15H17NO
Molecular Weight	227.30
Molar Refractivity	71.46

Pubchem ID	408289
InChI Key	CXDXSNWZXJVDMC-UHFFFAOYSA-N
MDL Number	MFCD09753763

Aromatic Heavy Atoms Number	10
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.87
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.27
Ghose	None
GI Absorption	High
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.68 cm/s
Log Po/w (iLOGP)	2.76
Log Po/w (MLOGP)	2.63
Log Po/w (SILICOS-IT)	3.17
Log Po/w (WLOGP)	2.97
Log Po/w (XLOGP3)	2.83
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	4
Synthetic Accessibility	1.28
Topological Polar Surface Area	20.31 Å²
Veber	0.0

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