1,3,6,8-Tetrabromocarbazole

Introduction

CAS No. :	55119-09-0	MDL No. :	MFCD00218272
Formula :	C12H5Br4N	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	FNHISDQCWYSMTO-UHFFFAOYSA-N
M.W :	482.79	Pubchem ID :	258744
Synonyms :

Physicochemical Properties

Num. heavy atoms :	17
Num. arom. heavy atoms :	13
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	0.0
Num. H-bond donors :	1.0
Molar Refractivity :	86.6
TPSA :	15.79 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.88 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.48
Log Po/w (XLOGP3) :	6.15
Log Po/w (WLOGP) :	6.37
Log Po/w (MLOGP) :	5.42
Log Po/w (SILICOS-IT) :	6.19
Consensus Log Po/w :	5.52

Druglikeness

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

Water Solubility

Log S (ESOL) :	-7.27
Solubility :	0.0000257 mg/ml ; 0.0000000532 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.26
Solubility :	0.000262 mg/ml ; 0.000000544 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-8.21
Solubility :	0.00000299 mg/ml ; 0.0000000062 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	1.8

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

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