82985-35-1 Bis(3-(trimethoxysilyl)propyl)amine

Introduction

CAS No. :	82985-35-1	MDL No. :	MFCD00191835
Formula :	C12H31NO6Si2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	TZZGHGKTHXIOMN-UHFFFAOYSA-N
M.W :	341.55	Pubchem ID :	157882
Synonyms :

Physicochemical Properties

Num. heavy atoms :	21
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	14
Num. H-bond acceptors :	7.0
Num. H-bond donors :	1.0
Molar Refractivity :	84.85
TPSA :	67.41 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) :	-7.41 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.27
Log Po/w (XLOGP3) :	1.37
Log Po/w (WLOGP) :	1.11
Log Po/w (MLOGP) :	-1.69
Log Po/w (SILICOS-IT) :	-1.47
Consensus Log Po/w :	0.72

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.9
Solubility :	4.33 mg/ml ; 0.0127 mol/l
Class :	Very soluble
Log S (Ali) :	-2.39
Solubility :	1.4 mg/ml ; 0.00409 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.3
Solubility :	0.17 mg/ml ; 0.000499 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.18

Signal Word:	Danger	Class:	8
Precautionary Statements:	P261-P305+P351+P338	UN#:	1760
Hazard Statements:	H315-H318-H332-H335	Packing Group:	Ⅲ
GHS Pictogram:

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