Benzyl (4-bromo-3-fluorophenyl)carbamate

Name: Benzyl (4-bromo-3-fluorophenyl)carbamate
SKU: PI510729018
Rating: 5 (1 reviews)

Cat. No.: PI510729018

Product Details Other Identifiers Computed Properties

CAS	510729-01-8
Purity	97%
Molecular Formula	C14H11BrFNO2
Molecular Weight	324.15
Molar Refractivity	74.37

Pubchem ID	67274244
InChI Key	UPTMRBYILBFUPA-UHFFFAOYSA-N
MDL Number	MFCD23381075

Aromatic Heavy Atoms Number	12
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	3.66
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.07
Ghose	None
GI Absorption	High
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	0.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.86 cm/s
Log Po/w (iLOGP)	2.92
Log Po/w (MLOGP)	3.98
Log Po/w (SILICOS-IT)	3.57
Log Po/w (WLOGP)	4.41
Log Po/w (XLOGP3)	3.41
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	5
Synthetic Accessibility	2.34
Topological Polar Surface Area	38.33 Å²
Veber	0.0

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