Tetraethylammonium chloride

Introduction

CAS No. :	56-34-8	MDL No. :	MFCD00011828
Formula :	C8H20ClN	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YMBCJWGVCUEGHA-UHFFFAOYSA-M
M.W :	165.70	Pubchem ID :	5946
Synonyms :	TEA chloride

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	48.8
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-9.55 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-2.09
Log Po/w (XLOGP3) :	-3.15
Log Po/w (WLOGP) :	-1.11
Log Po/w (MLOGP) :	-1.15
Log Po/w (SILICOS-IT) :	1.2
Consensus Log Po/w :	-1.26

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	3.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	1.38
Solubility :	3990.0 mg/ml ; 24.1 mol/l
Class :	Highly soluble
Log S (Ali) :	3.72
Solubility :	865000.0 mg/ml ; 5220.0 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-3.07
Solubility :	0.142 mg/ml ; 0.000859 mol/l
Class :	Soluble

Medicinal Chemistry

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

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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