1499-10-1 9,10-Diphenylanthracene

Introduction

CAS No. :	1499-10-1	MDL No. :	MFCD00001253
Formula :	C26H18	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	FCNCGHJSNVOIKE-UHFFFAOYSA-N
M.W :	330.42	Pubchem ID :	15159
Synonyms :

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	26
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	112.33
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-2.31 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.88
Log Po/w (XLOGP3) :	8.46
Log Po/w (WLOGP) :	7.33
Log Po/w (MLOGP) :	7.46
Log Po/w (SILICOS-IT) :	7.15
Consensus Log Po/w :	6.85

Druglikeness

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

Water Solubility

Log S (ESOL) :	-7.83
Solubility :	0.00000493 mg/ml ; 0.0000000149 mol/l
Class :	Poorly soluble
Log S (Ali) :	-8.33
Solubility :	0.00000154 mg/ml ; 0.0000000047 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-10.76
Solubility :	0.0000000058 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.94

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

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