4519-17-9 1,4-Bis(dimethyl(vinyl)silyl)benzene

Introduction

CAS No. :	4519-17-9	MDL No. :	MFCD07778038
Formula :	C14H22Si2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	VLNRSEGRGSDKLS-UHFFFAOYSA-N
M.W :	246.50	Pubchem ID :	320767
Synonyms :

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.29
Num. rotatable bonds :	4
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	81.07
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.49 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.71
Log Po/w (XLOGP3) :	6.07
Log Po/w (WLOGP) :	2.97
Log Po/w (MLOGP) :	4.49
Log Po/w (SILICOS-IT) :	2.0
Consensus Log Po/w :	3.85

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.21
Solubility :	0.00153 mg/ml ; 0.00000622 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.85
Solubility :	0.000348 mg/ml ; 0.00000141 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-5.05
Solubility :	0.00219 mg/ml ; 0.00000887 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.68

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

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