CAS RN: 854938-59-3
Benzaldehyde, 4,4′,4”,4”’-(1,4-phenylenedinitrilo)tetraki
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250609 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251014 | 100mg | In stock | Shandong | Inquiry | |
| Batchno.20260128 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260601 | 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260302 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260518 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250620 | 25mg | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20250321 | 50mg | In stock | Shanghai, Tianjin | Inquiry |
- Product code: starshine_CAS854938-59-3
- Purity/Analytical Methods: >99.0%
854938-59-3 / 4-(4-formyl-N-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]anilino)benzaldehyde
Basic Information
CAS
854938-59-3
Multi CAS
Yes
Molecular Formula
C34H24N2O4
Molecular Weight
524.600000
Exact Mass
524.173607
InChI
InChI=1S/C34H24N2O4/c37-21-25-1-9-29(10-2-25)35(30-11-3-26(22-38)4-12-30)33-17-19-34(20-18-33)36(31-13-5-27(23-39)6-14-31)32-15-7-28(24-40)8-16-32/h1-24H
InChIKey
KNSVRJTTXGBOJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
30
Rotatable bonds
10
H-bond acceptors
6
Molar refractivity
157.36
TPSA
74.76
LogP / Solubility
WLOGP
7.88
MLOGP
6.97
XLogP3
6.2
Consensus LogP
7.02
Log S (ESOL)
-7.95
Class (ESOL)
Insoluble
Log S (Ali)
-9.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.81
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.33
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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