4-Methoxy-N-(4-methoxyphenyl)-N-phenylaniline

Introduction

CAS No. :	20440-94-2	MDL No. :	MFCD16659084
Formula :	C20H19NO2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	ZJPTYHDCQPDNBH-UHFFFAOYSA-N
M.W :	305.37	Pubchem ID :	10543043
Synonyms :

Physicochemical Properties

Num. heavy atoms :	23
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.1
Num. rotatable bonds :	5
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	94.11
TPSA :	21.7 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.54 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.77
Log Po/w (XLOGP3) :	5.1
Log Po/w (WLOGP) :	5.17
Log Po/w (MLOGP) :	4.09
Log Po/w (SILICOS-IT) :	3.79
Consensus Log Po/w :	4.38

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.2
Solubility :	0.00195 mg/ml ; 0.00000638 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.3
Solubility :	0.00153 mg/ml ; 0.00000502 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-7.01
Solubility :	0.0000299 mg/ml ; 0.0000000979 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.14

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

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