3-Aminopropyltriethoxysilane

Introduction

CAS No. :	919-30-2	MDL No. :	MFCD00008207
Formula :	C9H23NO3Si	Boiling Point :	-
Linear Structure Formula :	(CH3CH2O)3Si(CH2)3NH2	InChI Key :	WYTZZXDRDKSJID-UHFFFAOYSA-N
M.W :	221.37	Pubchem ID :	13521
Synonyms :	γ-Aminopropyltriethoxysilane

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	9
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	59.21
TPSA :	53.71 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) :	-6.82 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.04
Log Po/w (XLOGP3) :	1.17
Log Po/w (WLOGP) :	1.38
Log Po/w (MLOGP) :	-0.12
Log Po/w (SILICOS-IT) :	-0.2
Consensus Log Po/w :	1.06

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.36
Solubility :	9.76 mg/ml ; 0.0441 mol/l
Class :	Very soluble
Log S (Ali) :	-1.89
Solubility :	2.83 mg/ml ; 0.0128 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.44
Solubility :	0.795 mg/ml ; 0.00359 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.27

Signal Word:	Danger	Class:	8
Precautionary Statements:	P210-P261-P264-P270-P272-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P312-P333+P313-P362+P364-P370+P378-P403+P235-P405-P501	UN#:	3267
Hazard Statements:	H227-H302-H313-H314-H317	Packing Group:	Ⅱ
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine