N,5-Bis(4-chlorophenyl)-3-(isopropylimino)-3,5-dihydrophenazin-2-amine

Introduction

CAS No. :	2030-63-9	MDL No. :	MFCD00056793
Formula :	C27H22Cl2N4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WDQPAMHFFCXSNU-UHFFFAOYSA-N
M.W :	473.40	Pubchem ID :	2794
Synonyms :	NSC 141046	Chemical Name :	N,5-Bis(4-chlorophenyl)-3-(isopropylimino)-3,5-dihydrophenazin-2-amine

Physicochemical Properties

Num. heavy atoms :	33
Num. arom. heavy atoms :	26
Fraction Csp3 :	0.11
Num. rotatable bonds :	4
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	139.18
TPSA :	42.21 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) :	-3.75 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.72
Log Po/w (XLOGP3) :	7.66
Log Po/w (WLOGP) :	7.54
Log Po/w (MLOGP) :	5.37
Log Po/w (SILICOS-IT) :	6.84
Consensus Log Po/w :	6.43

Druglikeness

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

Water Solubility

Log S (ESOL) :	-7.92
Solubility :	0.00000569 mg/ml ; 0.000000012 mol/l
Class :	Poorly soluble
Log S (Ali) :	-8.39
Solubility :	0.00000194 mg/ml ; 0.0000000041 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-11.22
Solubility :	0.0000000028 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.68

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

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