![CAS 133878-93-0 4′-(diphenylamino)-[1,1′-biphenyl]-4-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/133878-93-0.gif)
CAS RN: 133878-93-0
4′-(diphenylamino)-[1,1′-biphenyl]-4-carbaldehyde
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250103 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260308 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Guangdong | Inquiry |
| Batchno.20250606 | 1g | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20251204 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250919 | 25g | Out of stock | Inquiry | |
| Batchno.20250928 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: starshine_CAS133878-93-0
- Purity/Analytical Methods: >99.0%
133878-93-0 / 4-[4-(N-phenylanilino)phenyl]benzaldehyde
Basic Information
CAS
133878-93-0
Multi CAS
No
Molecular Formula
C25H19NO
Molecular Weight
349.400000
Exact Mass
349.146664
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C=O
InChI
InChI=1S/C25H19NO/c27-19-20-11-13-21(14-12-20)22-15-17-25(18-16-22)26(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-19H
InChIKey
OFGINXFWJLDDPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
111.95
TPSA
20.31
LogP / Solubility
WLOGP
6.64
MLOGP
5.86
XLogP3
6.2
Consensus LogP
6.23
Log S (ESOL)
-6.51
Class (ESOL)
Insoluble
Log S (Ali)
-7.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.04
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.14
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
3
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