18023-33-1 Triisopropoxy(vinyl)silane

Introduction

CAS No. :	18023-33-1	MDL No. :	MFCD00026380
Formula :	C11H24O3Si	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MABAWBWRUSBLKQ-UHFFFAOYSA-N
M.W :	232.39	Pubchem ID :	87409
Synonyms :

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.82
Num. rotatable bonds :	7
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	65.64
TPSA :	27.69 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) :	-5.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.58
Log Po/w (XLOGP3) :	3.51
Log Po/w (WLOGP) :	2.93
Log Po/w (MLOGP) :	1.18
Log Po/w (SILICOS-IT) :	0.89
Consensus Log Po/w :	2.42

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.03
Solubility :	0.217 mg/ml ; 0.000933 mol/l
Class :	Soluble
Log S (Ali) :	-3.78
Solubility :	0.039 mg/ml ; 0.000168 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.13
Solubility :	1.73 mg/ml ; 0.00745 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.32

Signal Word:	Danger	Class:	3
Precautionary Statements:	P210-P403+P235	UN#:	1993
Hazard Statements:	H225	Packing Group:	Ⅲ
GHS Pictogram:

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