Octadecyltriethoxysilane

Introduction

CAS No. :	7399-00-0	MDL No. :	MFCD00039875
Formula :	C24H52O3Si	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	FZMJEGJVKFTGMU-UHFFFAOYSA-N
M.W :	416.75	Pubchem ID :	81885
Synonyms :

Physicochemical Properties

Num. heavy atoms :	28
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	23
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	128.6
TPSA :	27.69 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-1.19 cm/s

Lipophilicity

Log Po/w (iLOGP) :	7.0
Log Po/w (XLOGP3) :	10.78
Log Po/w (WLOGP) :	8.3
Log Po/w (MLOGP) :	4.45
Log Po/w (SILICOS-IT) :	7.07
Consensus Log Po/w :	7.52

Druglikeness

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

Water Solubility

Log S (ESOL) :	-7.7
Solubility :	0.00000837 mg/ml ; 0.0000000201 mol/l
Class :	Poorly soluble
Log S (Ali) :	-11.32
Solubility :	0.000000002 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (SILICOS-IT) :	-8.76
Solubility :	0.000000729 mg/ml ; 0.0000000018 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	5.98

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

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