4-Bromo-4'-(pentyloxy)-1,1'-biphenyl

Cat. No.: PI63619512

Product Details Other Identifiers Computed Properties

CAS	63619-51-2
Purity	97%
Molecular Formula	C17H19BrO
Molecular Weight	319.24
Molar Refractivity	85.3

Pubchem ID	2801388
InChI Key	XSGGLCGBXDPDLL-UHFFFAOYSA-N
MDL Number	MFCD00096777

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	6
Topological Polar Surface Area	9.23 Å²
Heavy Atom Count	19
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.29
Log Po/w (iLOGP)	3.91
Log Po/w (XLOGP3)	6.17
Log Po/w (WLOGP)	5.69
Log Po/w (MLOGP)	4.98
Log Po/w (SILICOS-IT)	5.66
Consensus Log Po/w	5.28
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-3.87 cm/s
Lipinski	1.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	2.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.11

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