2-Methylpropylboronic acid

Name: 2-Methylpropylboronic acid
SKU: PI84110407
Rating: 5 (1 reviews)

Catalog NumberPI84110407

CAS Number84110-40-7

CategoryAntineoplastics Intermediates

Product Details

Synonyms	Isobutylboronic acid
Purity	98%
Molecular Formula	C4H11BO2
Linear Formula	(CH3)2CHCH2B(OH)2
Molecular Weight	101.94
Molar Refractivity	30.48

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Other Identifiers

Pubchem ID	2734395
InChI Key	ZAZPDOYUCVFPOI-UHFFFAOYSA-N
MDL Number	MFCD00134156

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	No
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	-0.15
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	1.0
Ghose	None
GI Absorption	High
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	2.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.32 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	-0.18
Log Po/w (SILICOS-IT)	-1.53
Log Po/w (WLOGP)	0.12
Log Po/w (XLOGP3)	0.85
Muegge	2.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	1.51
Topological Polar Surface Area	40.46 Å²
Veber	0.0

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