3-Bromo-6,9-diphenyl-9H-carbazole

Introduction

CAS No. :	1160294-85-8	MDL No. :	MFCD20257783
Formula :	C24H16BrN	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	JBEQRROTSDUCGC-UHFFFAOYSA-N
M.W :	398.29	Pubchem ID :	57746295
Synonyms :

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	25
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	113.92
TPSA :	4.93 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) :	-3.54 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.95
Log Po/w (XLOGP3) :	7.31
Log Po/w (WLOGP) :	7.21
Log Po/w (MLOGP) :	6.09
Log Po/w (SILICOS-IT) :	6.26
Consensus Log Po/w :	6.16

Druglikeness

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

Water Solubility

Log S (ESOL) :	-7.49
Solubility :	0.0000128 mg/ml ; 0.000000032 mol/l
Class :	Poorly soluble
Log S (Ali) :	-7.24
Solubility :	0.0000229 mg/ml ; 0.0000000575 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-9.94
Solubility :	0.0000000455 mg/ml ; 0.0000000001 mol/l
Class :	Poorly soluble

Medicinal Chemistry

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

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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