3-Glycidoxypropyldimethoxymethylsilane

Introduction

CAS No. :	65799-47-5	MDL No. :	MFCD00271003
Formula :	C9H20O4Si	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	WHGNXNCOTZPEEK-UHFFFAOYSA-N
M.W :	220.34	Pubchem ID :	2759249
Synonyms :

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	8
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	55.47
TPSA :	40.22 Ų

Pharmacokinetics

GI absorption :	High
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) :	-6.95 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.02
Log Po/w (XLOGP3) :	0.98
Log Po/w (WLOGP) :	1.16
Log Po/w (MLOGP) :	-0.51
Log Po/w (SILICOS-IT) :	0.51
Consensus Log Po/w :	1.03

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.3
Solubility :	11.2 mg/ml ; 0.0506 mol/l
Class :	Very soluble
Log S (Ali) :	-1.41
Solubility :	8.52 mg/ml ; 0.0387 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.06
Solubility :	1.94 mg/ml ; 0.00881 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.33

Signal Word:	Danger	Class:	9
Precautionary Statements:	P261-P273-P280-P305+P351+P338	UN#:	3082
Hazard Statements:	H315-H317-H318-H335-H411	Packing Group:	Ⅲ
GHS Pictogram:

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