3,6-Diphenyl-9H-carbazole

Introduction

CAS No. :	56525-79-2	MDL No. :	MFCD00222619
Formula :	C24H17N	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PCMKGEAHIZDRFL-UHFFFAOYSA-N
M.W :	319.40	Pubchem ID :	3123295
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 :	1.0
Molar Refractivity :	106.68
TPSA :	15.79 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) :	-3.53 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.15
Log Po/w (XLOGP3) :	6.64
Log Po/w (WLOGP) :	6.66
Log Po/w (MLOGP) :	5.24
Log Po/w (SILICOS-IT) :	6.66
Consensus Log Po/w :	5.67

Druglikeness

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

Water Solubility

Log S (ESOL) :	-6.61
Solubility :	0.0000781 mg/ml ; 0.000000245 mol/l
Class :	Poorly soluble
Log S (Ali) :	-6.77
Solubility :	0.0000539 mg/ml ; 0.000000169 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-9.97
Solubility :	0.0000000341 mg/ml ; 0.0000000001 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.03

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280	UN#:	N/A
Hazard Statements:	H302-H317	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