CAS RN: 1020064-19-0
3,5-di(9H-carbazol-9-yl)benzaldehyde
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.20250419 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1020064-19-0
- Purity/Analytical Methods: >99.0%
1020064-19-0 / 3,5-di(carbazol-9-yl)benzaldehyde
3,5-di(9H-carbazol-9-yl)benzaldehyde | SCHEMBL20111589 | H60675
Basic Information
CAS
1020064-19-0
Multi CAS
No
Molecular Formula
C31H20N2O
Molecular Weight
436.500000
Exact Mass
436.157563
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC(=CC(=C4)C=O)N5C6=CC=CC=C6C7=CC=CC=C75
InChI
InChI=1S/C31H20N2O/c34-20-21-17-22(32-28-13-5-1-9-24(28)25-10-2-6-14-29(25)32)19-23(18-21)33-30-15-7-3-11-26(30)27-12-4-8-16-31(27)33/h1-20H
InChIKey
KBQXZRDTVPOABB-UHFFFAOYSA-N
Synonyms
3,5-di(9H-carbazol-9-yl)benzaldehyde
SCHEMBL20111589
H60675
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
32
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
140.51
TPSA
26.93
LogP / Solubility
WLOGP
7.69
MLOGP
6.8
XLogP3
7.5
Consensus LogP
7.33
Log S (ESOL)
-7.89
Class (ESOL)
Insoluble
Log S (Ali)
-8.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.24
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)
0.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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