2-(2-Chloroquinazolin-4-yl)-9-phenyl-9H-carbazole

Introduction

CAS No. :	1616499-37-6	MDL No. :	MFCD30187278
Formula :	C26H16ClN3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	XCNYSGLGEPGIPV-UHFFFAOYSA-N
M.W :	405.88	Pubchem ID :	90269802
Synonyms :

Physicochemical Properties

Num. heavy atoms :	30
Num. arom. heavy atoms :	29
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	124.32
TPSA :	30.71 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-3.64 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.06
Log Po/w (XLOGP3) :	7.24
Log Po/w (WLOGP) :	7.05
Log Po/w (MLOGP) :	5.09
Log Po/w (SILICOS-IT) :	6.07
Consensus Log Po/w :	5.9

Druglikeness

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

Water Solubility

Log S (ESOL) :	-7.5
Solubility :	0.0000128 mg/ml ; 0.0000000316 mol/l
Class :	Poorly soluble
Log S (Ali) :	-7.71
Solubility :	0.00000793 mg/ml ; 0.0000000195 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-10.63
Solubility :	0.0000000095 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.7

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