3-tert-Butoxycarbonylphenylboronic acid

Name: 3-tert-Butoxycarbonylphenylboronic acid
SKU: PI220210560
Rating: 5 (1 reviews)

Catalog NumberPI220210560

CAS Number220210-56-0

CategoryRespiratory Tract Intermediates

Product Details

Purity	98%
Molecular Formula	C11H15BO4
Molecular Weight	222.05
Molar Refractivity	62.01

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Other Identifiers

Pubchem ID	2773299
InChI Key	HVJDVHCPCSZDSR-UHFFFAOYSA-N
MDL Number	MFCD01630855

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	No
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	0.6
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.36
Ghose	None
GI Absorption	High
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	2.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.48 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	1.11
Log Po/w (SILICOS-IT)	-0.11
Log Po/w (WLOGP)	0.32
Log Po/w (XLOGP3)	1.66
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	4
Synthetic Accessibility	2.19
Topological Polar Surface Area	66.76 Å²
Veber	0.0

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