N,N'-(Methylenebis(4,1-phenylene))bis(2,2-dimethylhydrazinecarboxamide)

Introduction

CAS No. :	85095-61-0	MDL No. :	MFCD00525631
Formula :	C19H26N6O2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	AQABZFKTYXFIJF-UHFFFAOYSA-N
M.W :	370.45	Pubchem ID :	12842685
Synonyms :

Physicochemical Properties

Num. heavy atoms :	27
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.26
Num. rotatable bonds :	10
Num. H-bond acceptors :	4.0
Num. H-bond donors :	4.0
Molar Refractivity :	106.31
TPSA :	88.74 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) :	-6.91 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.9
Log Po/w (XLOGP3) :	2.32
Log Po/w (WLOGP) :	2.09
Log Po/w (MLOGP) :	3.11
Log Po/w (SILICOS-IT) :	-0.07
Consensus Log Po/w :	1.87

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.27
Solubility :	0.2 mg/ml ; 0.00054 mol/l
Class :	Soluble
Log S (Ali) :	-3.82
Solubility :	0.0558 mg/ml ; 0.000151 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-5.59
Solubility :	0.00095 mg/ml ; 0.00000256 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.86

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338	UN#:
Hazard Statements:	H302	Packing Group:
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine