3,6-Dibromo-9-(4-bromophenyl)-9H-carbazole

Introduction

CAS No. :	73087-83-9	MDL No. :	MFCD12024284
Formula :	C18H10Br3N	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	NRTDFHUSNYJENJ-UHFFFAOYSA-N
M.W :	479.99	Pubchem ID :	11059889
Synonyms :

Physicochemical Properties

Num. heavy atoms :	22
Num. arom. heavy atoms :	19
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	103.88
TPSA :	4.93 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) :	-4.21 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.05
Log Po/w (XLOGP3) :	7.07
Log Po/w (WLOGP) :	7.07
Log Po/w (MLOGP) :	6.21
Log Po/w (SILICOS-IT) :	6.04
Consensus Log Po/w :	6.09

Druglikeness

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

Water Solubility

Log S (ESOL) :	-7.84
Solubility :	0.00000689 mg/ml ; 0.0000000144 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.99
Solubility :	0.000049 mg/ml ; 0.000000102 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-9.05
Solubility :	0.000000428 mg/ml ; 0.0000000009 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	1.85

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
GHS Pictogram:

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