![CAS 872689-79-7 4-[4-[4-(4-Formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/872689-79-7.png)
CAS RN: 872689-79-7
4-[4-[4-(4-Formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260209 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Chongqing | 5-7 business days | Inquiry |
- Product code: LINF887504
872689-79-7 / 4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
Basic Information
CAS
872689-79-7
Multi CAS
No
Molecular Formula
C39H27NO3
Molecular Weight
557.600000
Exact Mass
557.199094
InChI
InChI=1S/C39H27NO3/c41-25-28-1-7-31(8-2-28)34-13-19-37(20-14-34)40(38-21-15-35(16-22-38)32-9-3-29(26-42)4-10-32)39-23-17-36(18-24-39)33-11-5-30(27-43)6-12-33/h1-27H
InChIKey
RUWJZPXZOWJEFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
36
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
173.6
TPSA
54.45
LogP / Solubility
WLOGP
9.59
MLOGP
8.49
XLogP3
8.4
Consensus LogP
8.83
Log S (ESOL)
-9.37
Class (ESOL)
Insoluble
Log S (Ali)
-11.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.33
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)
0.69
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
5.5
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