N,N'-Bis(p-toluenesulfonyl)hydrazine

Introduction

CAS No. :	14062-05-6	MDL No. :	MFCD00025987
Formula :	C14H16N2O4S2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	CVRIWLRSJCDOOX-UHFFFAOYSA-N
M.W :	340.42	Pubchem ID :	301521
Synonyms :

Physicochemical Properties

Num. heavy atoms :	22
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.14
Num. rotatable bonds :	5
Num. H-bond acceptors :	6.0
Num. H-bond donors :	2.0
Molar Refractivity :	82.88
TPSA :	109.1 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.62 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.26
Log Po/w (XLOGP3) :	2.47
Log Po/w (WLOGP) :	3.64
Log Po/w (MLOGP) :	1.7
Log Po/w (SILICOS-IT) :	0.56
Consensus Log Po/w :	1.93

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.58
Solubility :	0.0895 mg/ml ; 0.000263 mol/l
Class :	Soluble
Log S (Ali) :	-4.41
Solubility :	0.0134 mg/ml ; 0.0000393 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-5.61
Solubility :	0.000836 mg/ml ; 0.00000245 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.68

Signal Word:	Danger	Class:	4.1
Precautionary Statements:	P280-P210-P240-P264-P270-P301+P310-P330-P370+P378-P403+P233-P405-P501	UN#:	1325
Hazard Statements:	H228-H302-H317-H319-H341-H351	Packing Group:	Ⅲ
GHS Pictogram:

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