N2,N3-Bis(4-fluorophenyl)quinoxaline-2,3-diamine

Introduction

CAS No. :	195822-23-2	MDL No. :	MFCD00607076
Formula :	C20H14F2N4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DKPCKOKYSVPFEB-UHFFFAOYSA-N
M.W :	348.35	Pubchem ID :	468690
Synonyms :		Chemical Name :	N2,N3-Bis(4-fluorophenyl)quinoxaline-2,3-diamine

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	22
Fraction Csp3 :	0.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	98.54
TPSA :	49.84 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-4.76 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.96
Log Po/w (XLOGP3) :	5.16
Log Po/w (WLOGP) :	6.24
Log Po/w (MLOGP) :	4.5
Log Po/w (SILICOS-IT) :	4.21
Consensus Log Po/w :	4.61

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.61
Solubility :	0.00085 mg/ml ; 0.00000244 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.95
Solubility :	0.000389 mg/ml ; 0.00000112 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-8.99
Solubility :	0.00000036 mg/ml ; 0.000000001 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.93

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H320-H335	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