Tetraphenylethylene

Introduction

CAS No. :	632-51-9	MDL No. :	MFCD00004764
Formula :	C26H20	Boiling Point :	No data available
Linear Structure Formula :	(C6H5)2CC(C6H5)2	InChI Key :	-
M.W :	332.44	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	24
Fraction Csp3 :	0.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	110.79
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-2.68 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.72
Log Po/w (XLOGP3) :	7.96
Log Po/w (WLOGP) :	6.69
Log Po/w (MLOGP) :	7.53
Log Po/w (SILICOS-IT) :	6.69
Consensus Log Po/w :	6.52

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-7.33
Solubility :	0.0000154 mg/ml ; 0.0000000462 mol/l
Class :	Poorly soluble
Log S (Ali) :	-7.81
Solubility :	0.00000513 mg/ml ; 0.0000000154 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-10.01
Solubility :	0.0000000326 mg/ml ; 0.0000000001 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.55

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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