4,4''-Dibromo-5'-(4-bromophenyl)-1,1':3',1''-terphenyl

Introduction

CAS No. :	7511-49-1	MDL No. :	MFCD00362911
Formula :	C24H15Br3	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	HJQRITCAXSBOPC-UHFFFAOYSA-N
M.W :	543.09	Pubchem ID :	232761
Synonyms :

Physicochemical Properties

Num. heavy atoms :	27
Num. arom. heavy atoms :	24
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	125.85
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-2.75 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.72
Log Po/w (XLOGP3) :	9.66
Log Po/w (WLOGP) :	8.98
Log Po/w (MLOGP) :	7.99
Log Po/w (SILICOS-IT) :	8.65
Consensus Log Po/w :	8.0

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	2.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	-9.75
Solubility :	0.000000096 mg/ml ; 0.0000000002 mol/l
Class :	Poorly soluble
Log S (Ali) :	-9.58
Solubility :	0.000000144 mg/ml ; 0.0000000003 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-12.27
Solubility :	0.0000000003 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.29

Signal Word:	Danger	Class:
Precautionary Statements:	P280-P305+P351+P338	UN#:
Hazard Statements:	H318-H413	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