![CAS 3140-75-8 4-[[4,6-bis(4-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/08026300.gif)
CAS RN: 3140-75-8
4-[[4,6-bis(4-formylphenoxy)-1,3,5-triazin-2-yl]oxy]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 | Inquiry |
|---|---|---|---|---|
| Batchno.20260430 | 100mg / 500mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Hebei, Shandong, Chongqing, Guangdong | Inquiry |
- Product code: LINB887516
3140-75-8 / 4-[[4,6-bis(4-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde
Basic Information
CAS
3140-75-8
Multi CAS
No
Molecular Formula
C24H15N3O6
Molecular Weight
441.400000
Exact Mass
441.096085
InChI
InChI=1S/C24H15N3O6/c28-13-16-1-7-19(8-2-16)31-22-25-23(32-20-9-3-17(14-29)4-10-20)27-24(26-22)33-21-11-5-18(15-30)6-12-21/h1-15H
InChIKey
YNLBSRHGIHAPAE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Rotatable bonds
9
H-bond acceptors
9
Molar refractivity
115.54
TPSA
117.57
LogP / Solubility
WLOGP
4.69
MLOGP
4.15
XLogP3
3.9
Consensus LogP
4.25
Log S (ESOL)
-5.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.5
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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