4-(1,2,2-Triphenylvinyl)phenol

Introduction

CAS No. :	76115-06-5	MDL No. :	MFCD30342417
Formula :	C26H20O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	ZSZOSPYBNNWIIN-UHFFFAOYSA-N
M.W :	348.44	Pubchem ID :	11314052
Synonyms :

Physicochemical Properties

Num. heavy atoms :	27
Num. arom. heavy atoms :	24
Fraction Csp3 :	0.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	112.81
TPSA :	20.23 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.02 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.54
Log Po/w (XLOGP3) :	7.61
Log Po/w (WLOGP) :	6.4
Log Po/w (MLOGP) :	5.81
Log Po/w (SILICOS-IT) :	6.19
Consensus Log Po/w :	5.91

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-7.19
Solubility :	0.0000226 mg/ml ; 0.0000000648 mol/l
Class :	Poorly soluble
Log S (Ali) :	-7.87
Solubility :	0.00000467 mg/ml ; 0.0000000134 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-9.42
Solubility :	0.000000131 mg/ml ; 0.0000000004 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.5

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-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