4-(Bromomethyl)-1,1'-biphenyl

Name: 4-(Bromomethyl)-1,1'-biphenyl
SKU: PI2567295
Rating: 5 (1 reviews)

Cat. No.: PI2567295

Product Details Other Identifiers Computed Properties

CAS	2567-29-5
Purity	98%
Molecular Formula	C13H11Br
Linear Formula	C6H5C6H4CH2Br
Molecular Weight	247.13
Molar Refractivity	64.71

Pubchem ID	257716
InChI Key	HZQLUIZFUXNFHK-UHFFFAOYSA-N
MDL Number	MFCD00017869

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	0.0
Rotatable Bond Count	2
Topological Polar Surface Area	0.0 Å²
Heavy Atom Count	14
Aromatic Heavy Atoms Number	12
Fraction Csp3	0.08
Log Po/w (iLOGP)	2.7
Log Po/w (XLOGP3)	4.82
Log Po/w (WLOGP)	4.1
Log Po/w (MLOGP)	4.54
Log Po/w (SILICOS-IT)	4.57
Consensus Log Po/w	4.15
GI Absorption	Low
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-4.39 cm/s
Lipinski	1.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	2.0
Synthetic Accessibility	2.02

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