4'-(Bromomethyl)-[1,1'-biphenyl]-2-carboxamide

Cat. No.: PI147404726

Product Details Other Identifiers Computed Properties

CAS	147404-72-6
Purity	95%
Molecular Formula	C14H12BrNO
Molecular Weight	290.16
Molar Refractivity	72.81

Pubchem ID	15219006
InChI Key	POWXVFIRWRUILN-UHFFFAOYSA-N
MDL Number	MFCD11865373

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	3
Topological Polar Surface Area	43.09 Å²
Heavy Atom Count	17
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.07
Log Po/w (iLOGP)	2.07
Log Po/w (XLOGP3)	2.8
Log Po/w (WLOGP)	3.2
Log Po/w (MLOGP)	3.39
Log Po/w (SILICOS-IT)	3.69
Consensus Log Po/w	3.03
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.08 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	0.0
Synthetic Accessibility	2.09

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