Tetraethylammonium iodide

Introduction

CAS No. :	68-05-3	MDL No. :	MFCD00011829
Formula :	C8H20IN	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	UQFSVBXCNGCBBW-UHFFFAOYSA-M
M.W :	257.16	Pubchem ID :	6225
Synonyms :

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 :	56.96
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) :	-10.06 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-0.59
Log Po/w (XLOGP3) :	-3.09
Log Po/w (WLOGP) :	-1.11
Log Po/w (MLOGP) :	-0.84
Log Po/w (SILICOS-IT) :	1.2
Consensus Log Po/w :	-0.89

Druglikeness

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

Water Solubility

Log S (ESOL) :	0.78
Solubility :	1540.0 mg/ml ; 5.97 mol/l
Class :	Highly soluble
Log S (Ali) :	3.66
Solubility :	1160000.0 mg/ml ; 4520.0 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-3.07
Solubility :	0.221 mg/ml ; 0.000859 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	1.04

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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