4-(Phenyldiazenyl)phenol

Introduction

CAS No. :	1689-82-3	MDL No. :	MFCD00002330
Formula :	C12H10N2O	Boiling Point :	-
Linear Structure Formula :	HO(C6H4)NN(C6H5)	InChI Key :	BEYOBVMPDRKTNR-UHFFFAOYSA-N
M.W :	198.22	Pubchem ID :	15529
Synonyms :		Chemical Name :	4-(Phenyldiazenyl)phenol

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	59.08
TPSA :	44.95 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.85 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.31
Log Po/w (XLOGP3) :	3.74
Log Po/w (WLOGP) :	3.81
Log Po/w (MLOGP) :	2.53
Log Po/w (SILICOS-IT) :	3.19
Consensus Log Po/w :	3.12

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.89
Solubility :	0.0258 mg/ml ; 0.00013 mol/l
Class :	Soluble
Log S (Ali) :	-4.38
Solubility :	0.00834 mg/ml ; 0.0000421 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-4.44
Solubility :	0.0072 mg/ml ; 0.0000363 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	1.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.24

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338-P304+P340-P405-P501	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335-H411	Packing Group:	N/A
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