Tetramethylammonium iodide

Introduction

CAS No. :	75-58-1	MDL No. :	MFCD00011629
Formula :	C4H12IN	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	RXMRGBVLCSYIBO-UHFFFAOYSA-M
M.W :	201.05	Pubchem ID :	6381
Synonyms :

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	37.74
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
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) :	-6.72 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-1.44
Log Po/w (XLOGP3) :	1.14
Log Po/w (WLOGP) :	-2.67
Log Po/w (MLOGP) :	-2.15
Log Po/w (SILICOS-IT) :	-0.51
Consensus Log Po/w :	-1.13

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.8
Solubility :	3.15 mg/ml ; 0.0157 mol/l
Class :	Very soluble
Log S (Ali) :	-0.73
Solubility :	37.1 mg/ml ; 0.184 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.35
Solubility :	8.98 mg/ml ; 0.0447 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.54

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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