9-(Naphthalen-1-yl)-9H-carbazole

Introduction

CAS No. :	22034-43-1	MDL No. :	MFCD26127424
Formula :	C22H15N	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	QSOAYCUFEQGHDN-UHFFFAOYSA-N
M.W :	293.36	Pubchem ID :	626218
Synonyms :

Physicochemical Properties

Num. heavy atoms :	23
Num. arom. heavy atoms :	23
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	98.29
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 :	No
Log Kp (skin permeation) :	-3.65 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.3
Log Po/w (XLOGP3) :	6.25
Log Po/w (WLOGP) :	5.94
Log Po/w (MLOGP) :	5.12
Log Po/w (SILICOS-IT) :	5.08
Consensus Log Po/w :	5.14

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.27
Solubility :	0.000157 mg/ml ; 0.000000537 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.14
Solubility :	0.000212 mg/ml ; 0.000000724 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-8.32
Solubility :	0.00000141 mg/ml ; 0.0000000048 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.73

Signal Word:	Warning	Class:
Precautionary Statements:	P305+P351+P338	UN#:
Hazard Statements:	H315-H319	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