Tetraethylammonium hydrogensulfate

Introduction

CAS No. :	16873-13-5	MDL No. :	MFCD00036150
Formula :	C8H21NO4S	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	CREVBWLEPKAZBH-UHFFFAOYSA-M
M.W :	227.32	Pubchem ID :	167582
Synonyms :

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	55.31
TPSA :	85.81 Ų

Pharmacokinetics

GI absorption :	High
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) :	-11.47 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-1.62
Log Po/w (XLOGP3) :	-5.33
Log Po/w (WLOGP) :	1.97
Log Po/w (MLOGP) :	-3.17
Log Po/w (SILICOS-IT) :	1.2
Consensus Log Po/w :	-1.39

Druglikeness

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

Water Solubility

Log S (ESOL) :	2.37
Solubility :	53600.0 mg/ml ; 236.0 mol/l
Class :	Highly soluble
Log S (Ali) :	4.18
Solubility :	3420000.0 mg/ml ; 15100.0 mol/l
Class :	Highly soluble
Log S (SILICOS-IT) :	-3.07
Solubility :	0.195 mg/ml ; 0.000859 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	3.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.09

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

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