4-Aminophenylboronic acid pinacol ester

Name: 4-Aminophenylboronic acid pinacol ester
SKU: PI214360733
Rating: 5 (1 reviews)

Cat. No.: PI214360733

Product Details Other Identifiers Computed Properties

CAS	214360-73-3
Synonyms	4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Purity	98%
Molecular Formula	C12H18BNO2
Linear Formula	(CH3)4C2BO2C6H4NH2
Molecular Weight	219.09
Molar Refractivity	67.32

Pubchem ID	2734620
InChI Key	ZANPJXNYBVVNSD-UHFFFAOYSA-N
MDL Number	MFCD02093721

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	2.0 alert
Consensus Log Po/w	1.21
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Egan	0.0
Fraction Csp3	0.5
Ghose	None
GI Absorption	High
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.05 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	1.13
Log Po/w (SILICOS-IT)	1.12
Log Po/w (WLOGP)	1.58
Log Po/w (XLOGP3)	2.23
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	1
Synthetic Accessibility	2.75
Topological Polar Surface Area	44.48 Å²
Veber	0.0

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