Dimethyl(4-vinylphenyl)silane

Introduction

CAS No. :	4556-72-3	MDL No. :	MFCD28975321
Formula :	C10H14Si	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	FOCKABARGIGHES-UHFFFAOYSA-N
M.W :	162.30	Pubchem ID :	11094960
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.2
Num. rotatable bonds :	2
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	55.04
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.56 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.76
Log Po/w (XLOGP3) :	3.85
Log Po/w (WLOGP) :	1.91
Log Po/w (MLOGP) :	3.47
Log Po/w (SILICOS-IT) :	2.05
Consensus Log Po/w :	2.81

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.54
Solubility :	0.0464 mg/ml ; 0.000286 mol/l
Class :	Soluble
Log S (Ali) :	-3.55
Solubility :	0.0461 mg/ml ; 0.000284 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.71
Solubility :	0.0316 mg/ml ; 0.000195 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.79

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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