CAS RN: 440354-93-8

9-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-9H -carbazole

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  • Product code: starshine_CAS440354-93-8
  • Purity/Analytical Methods: >99.0%
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440354-93-8 / 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

Standard CAS: 440354-93-8 Multi CAS: No

Basic Information

CAS
440354-93-8
Multi CAS
No
Molecular Formula
C33H22N4
Molecular Weight
474.600000
Exact Mass
474.184447
InChI
InChI=1S/C33H22N4/c1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-29-17-9-7-15-27(29)28-16-8-10-18-30(28)37/h1-22H
InChIKey
CUNRCBBBPBWPTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
37
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
150.47
TPSA
43.6

LogP / Solubility

WLOGP
7.97
MLOGP
7.05
XLogP3
8
Consensus LogP
7.67
Log S (ESOL)
-8.28
Class (ESOL)
Insoluble
Log S (Ali)
-9.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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