5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

Cat. No.: PI944401574

Product Details Other Identifiers Computed Properties

CAS	944401-57-4
Purity	97%
Molecular Formula	C12H16BF3N2O2
Molecular Weight	288.07
Molar Refractivity	70.12

Pubchem ID	57416499
InChI Key	AHNBKJSRXQDYEO-UHFFFAOYSA-N
MDL Number	MFCD12923420

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	6.0
Rotatable Bond Count	2
Topological Polar Surface Area	57.37 Å²
Heavy Atom Count	20
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.58
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	2.38
Log Po/w (WLOGP)	3.14
Log Po/w (MLOGP)	1.36
Log Po/w (SILICOS-IT)	1.64
Consensus Log Po/w	1.7
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.37 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	1.0 alert
Leadlikeness	0.0
Synthetic Accessibility	3.14

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