16415-12-6 Hexadecyltrimethoxysilane

Introduction

CAS No. :	16415-12-6	MDL No. :	MFCD00069149
Formula :	C19H42O3Si	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	RSKGMYDENCAJEN-UHFFFAOYSA-N
M.W :	346.62	Pubchem ID :	85406
Synonyms :

Physicochemical Properties

Num. heavy atoms :	23
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	18
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	104.57
TPSA :	27.69 Ų

Pharmacokinetics

GI absorption :	High
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) :	-2.32 cm/s

Lipophilicity

Log Po/w (iLOGP) :	5.71
Log Po/w (XLOGP3) :	8.59
Log Po/w (WLOGP) :	6.35
Log Po/w (MLOGP) :	3.36
Log Po/w (SILICOS-IT) :	4.88
Consensus Log Po/w :	5.78

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.21
Solubility :	0.000212 mg/ml ; 0.000000613 mol/l
Class :	Poorly soluble
Log S (Ali) :	-9.05
Solubility :	0.000000311 mg/ml ; 0.0000000009 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-6.79
Solubility :	0.0000563 mg/ml ; 0.000000163 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	5.17

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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