9-([1,1'-Biphenyl]-3-yl)-9H-carbazole

Introduction

CAS No. :	1221237-87-1	MDL No. :	MFCD28167065
Formula :	C24H17N	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	LKXFMLDAUIXMGY-UHFFFAOYSA-N
M.W :	319.40	Pubchem ID :	58722663
Synonyms :

Physicochemical Properties

Num. heavy atoms :	25
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 :	106.22
TPSA :	4.93 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 :	Yes
Log Kp (skin permeation) :	-3.55 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.52
Log Po/w (XLOGP3) :	6.62
Log Po/w (WLOGP) :	6.45
Log Po/w (MLOGP) :	5.51
Log Po/w (SILICOS-IT) :	5.61
Consensus Log Po/w :	5.54

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.6
Solubility :	0.0000804 mg/ml ; 0.000000252 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.52
Solubility :	0.0000955 mg/ml ; 0.000000299 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-9.15
Solubility :	0.000000228 mg/ml ; 0.0000000007 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.14

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

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