10465-78-8 N1,N1,N2,N2-Tetramethyldiazene-1,2-dicarboxamide

Introduction

CAS No. :	10465-78-8	MDL No. :	MFCD00008318
Formula :	C6H12N4O2	Boiling Point :	-
Linear Structure Formula :	(CH3)2NCON2CON(CH3)2	InChI Key :	-
M.W :	172.19	Pubchem ID :	-
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.67
Num. rotatable bonds :	4
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	42.78
TPSA :	65.34 Ų

Pharmacokinetics

GI absorption :	High
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) :	-7.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.21
Log Po/w (XLOGP3) :	0.17
Log Po/w (WLOGP) :	0.8
Log Po/w (MLOGP) :	0.94
Log Po/w (SILICOS-IT) :	-0.75
Consensus Log Po/w :	0.68

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.75
Solubility :	30.6 mg/ml ; 0.178 mol/l
Class :	Very soluble
Log S (Ali) :	-1.1
Solubility :	13.7 mg/ml ; 0.0795 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.09
Solubility :	140.0 mg/ml ; 0.811 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	1.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.17

Signal Word:	Danger	Class:	4.1
Precautionary Statements:	P210-P240-P241-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P405-P501	UN#:	1325
Hazard Statements:	H315-H319-H335-H228	Packing Group:	Ⅱ
GHS Pictogram:

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