9-Bromo-10-(2-naphthyl)anthracene

Introduction

CAS No. :	474688-73-8	MDL No. :	MFCD09832882
Formula :	C24H15Br	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	FKIFDWYMWOJKTQ-UHFFFAOYSA-N
M.W :	383.28	Pubchem ID :	16116263
Synonyms :

Physicochemical Properties

Num. heavy atoms :	25
Num. arom. heavy atoms :	24
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	112.1
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) :	-2.97 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.79
Log Po/w (XLOGP3) :	7.99
Log Po/w (WLOGP) :	7.58
Log Po/w (MLOGP) :	6.75
Log Po/w (SILICOS-IT) :	7.26
Consensus Log Po/w :	6.67

Druglikeness

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

Water Solubility

Log S (ESOL) :	-7.89
Solubility :	0.00000489 mg/ml ; 0.0000000128 mol/l
Class :	Poorly soluble
Log S (Ali) :	-7.84
Solubility :	0.00000551 mg/ml ; 0.0000000144 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-10.73
Solubility :	0.0000000072 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.11

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	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