2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)ethanol

Cat. No.: PI1040377089

Product Details Other Identifiers Computed Properties

CAS	1040377-08-9
Purity	97%
Molecular Formula	C11H19BN2O3
Molecular Weight	238.09
Molar Refractivity	65.93

Pubchem ID	45788855
InChI Key	QEHDAUWYRNEWBF-UHFFFAOYSA-N
MDL Number	MFCD12033564

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	3
Topological Polar Surface Area	56.51 Å²
Heavy Atom Count	17
Aromatic Heavy Atoms Number	5
Fraction Csp3	0.73
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	0.47
Log Po/w (WLOGP)	0.17
Log Po/w (MLOGP)	-0.24
Log Po/w (SILICOS-IT)	0.03
Consensus Log Po/w	0.09
GI Absorption	High
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.42 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	1.0
Synthetic Accessibility	3.1

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