![CAS 2266564-53-6 9,9′-bicarbazole]-3,3′,6,6′-tetracarbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2266564-53-6.gif)
CAS RN: 2266564-53-6
9,9′-bicarbazole]-3,3′,6,6′-tetracarbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250218 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2266564-53-6
- Purity/Analytical Methods: >99.0%
2266564-53-6 / 9-(3,6-dicyanocarbazol-9-yl)carbazole-3,6-dicarbonitrile
Basic Information
CAS
2266564-53-6
Multi CAS
No
Molecular Formula
C28H12N6
Molecular Weight
432.400000
Exact Mass
432.112344
SMILES
C1=CC2=C(C=C1C#N)C3=C(N2N4C5=C(C=C(C=C5)C#N)C6=C4C=CC(=C6)C#N)C=CC(=C3)C#N
InChI
InChI=1S/C28H12N6/c29-13-17-1-5-25-21(9-17)22-10-18(14-30)2-6-26(22)33(25)34-27-7-3-19(15-31)11-23(27)24-12-20(16-32)4-8-28(24)34/h1-12H
InChIKey
RJCJDTBBCLXBEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
26
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
128.54
TPSA
105.02
LogP / Solubility
WLOGP
5.7
MLOGP
5.04
XLogP3
5.7
Consensus LogP
5.48
Log S (ESOL)
-6.61
Class (ESOL)
Insoluble
Log S (Ali)
-7.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 2266564-54-7 9,9′-bicarbazole]-3,3′,6,6′-tetracarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2266564-54-7.gif)
