CAS RN: 84907-53-9
1,2-BIS(4-FORMYLPHENYL)ETHANE
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.20251025 | 5mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: starshine_CAS84907-53-9
- Purity/Analytical Methods: >99.0%
84907-53-9 / 4-[2-(4-formylphenyl)ethenyl]benzaldehyde
Basic Information
CAS
84907-53-9
Multi CAS
Yes
Molecular Formula
C16H12O2
Molecular Weight
236.260000
Exact Mass
236.083730
InChI
InChI=1S/C16H12O2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h1-12H
InChIKey
NCAJMNHLAZAVRZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
72.59
TPSA
34.14
LogP / Solubility
WLOGP
3.48
MLOGP
3.07
XLogP3
3.1
Consensus LogP
3.22
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 84907-98-2
- Product Code: starshine_CAS84907-98-2
- Purity/Analytical method: >99.0%
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