Dimethoxydiphenylsilane

Introduction

CAS No. :	6843-66-9	MDL No. :	MFCD00025690
Formula :	C14H16O2Si	Boiling Point :	-
Linear Structure Formula :	(C6H5)2Si(OCH3)2	InChI Key :	AHUXYBVKTIBBJW-UHFFFAOYSA-N
M.W :	244.36	Pubchem ID :	81284
Synonyms :

Physicochemical Properties

Num. heavy atoms :	17
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.14
Num. rotatable bonds :	4
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	71.8
TPSA :	18.46 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.18 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.09
Log Po/w (XLOGP3) :	3.67
Log Po/w (WLOGP) :	1.54
Log Po/w (MLOGP) :	2.41
Log Po/w (SILICOS-IT) :	1.8
Consensus Log Po/w :	2.5

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.93
Solubility :	0.029 mg/ml ; 0.000119 mol/l
Class :	Soluble
Log S (Ali) :	-3.75
Solubility :	0.0437 mg/ml ; 0.000179 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-5.28
Solubility :	0.00128 mg/ml ; 0.00000525 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.08

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280	UN#:	N/A
Hazard Statements:	H315	Packing Group:	N/A
GHS Pictogram:

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