![CAS 1446426-30-7 4,4′,4”,4”’-((benzo[c][1,2,5]thiadiazole-4,7-diylbis(4,1-phenylene))bis(azanetriyl))tetrabenzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1446426-30-7(2).gif)
CAS RN: 1446426-30-7
4,4′,4”,4”’-((benzo[c][1,2,5]thiadiazole-4,7-diylbis(4,1-phenylene))bis(azanetriyl))tetrabenzaldehyde
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.20250721 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Hebei | Inquiry |
- Product code: starshine_CAS1446426-30-7
- Purity/Analytical Methods: >99.0%
1446426-30-7 / 4-(4-formyl-N-[4-[4-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]-2,1,3-benzothiadiazol-7-yl]phenyl]anilino)benzaldehyde
Basic Information
CAS
1446426-30-7
Multi CAS
No
Molecular Formula
C46H30N4O4S
Molecular Weight
734.800000
Exact Mass
734.198777
SMILES
C1=CC(=CC=C1C=O)N(C2=CC=C(C=C2)C=O)C3=CC=C(C=C3)C4=CC=C(C5=NSN=C45)C6=CC=C(C=C6)N(C7=CC=C(C=C7)C=O)C8=CC=C(C=C8)C=O
InChI
InChI=1S/C46H30N4O4S/c51-27-31-1-13-37(14-2-31)49(38-15-3-32(28-52)4-16-38)41-21-9-35(10-22-41)43-25-26-44(46-45(43)47-55-48-46)36-11-23-42(24-12-36)50(39-17-5-33(29-53)6-18-39)40-19-7-34(30-54)8-20-40/h1-30H
InChIKey
WJEWKNCAQBEGDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
55
Aromatic heavy atom count
45
Rotatable bonds
12
H-bond acceptors
9
Molar refractivity
219.2
TPSA
100.54
LogP / Solubility
WLOGP
11.21
MLOGP
9.93
XLogP3
9.4
Consensus LogP
10.18
Log S (ESOL)
-11.27
Class (ESOL)
Insoluble
Log S (Ali)
-13.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.76
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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