N-(6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl)methanesulfonamide

Cat. No.: PI1132940885

Product Details Other Identifiers Computed Properties

CAS	1132940-88-5
Purity	95%
Molecular Formula	C17H22BNO4S
Molecular Weight	347.24
Molar Refractivity	98.69

Pubchem ID	49758835
InChI Key	PZNVTOFDKURNCF-UHFFFAOYSA-N
MDL Number	MFCD13191641

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	3
Topological Polar Surface Area	73.01 Å²
Heavy Atom Count	24
Aromatic Heavy Atoms Number	10
Fraction Csp3	0.41
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	3.12
Log Po/w (WLOGP)	3.4
Log Po/w (MLOGP)	1.17
Log Po/w (SILICOS-IT)	1.44
Consensus Log Po/w	1.83
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.2 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	3.24

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