![CAS 857412-04-5 4-[4-(4-Formylphenyl)-2,5-dimethylphenyl]benzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/857412-04-5.png)
CAS RN: 857412-04-5
4-[4-(4-Formylphenyl)-2,5-dimethylphenyl]benzaldehyde
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260122 | 100mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260226 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Guangdong | Inquiry |
| Batchno.20251111 | 1g | Out of stock | Inquiry | |
| Batchno.20260619 | 250mg | In stock | Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250526 | 5g | In stock | Tianjin | Inquiry |
- Product code: LINF887089
857412-04-5 / 4-[4-(4-formylphenyl)-2,5-dimethylphenyl]benzaldehyde
Basic Information
CAS
857412-04-5
Multi CAS
No
Molecular Formula
C22H18O2
Molecular Weight
314.400000
Exact Mass
314.130680
InChI
InChI=1S/C22H18O2/c1-15-11-22(20-9-5-18(14-24)6-10-20)16(2)12-21(15)19-7-3-17(13-23)4-8-19/h3-14H,1-2H3
InChIKey
UVPAUSVUQTYXKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
97.56
TPSA
34.14
LogP / Solubility
WLOGP
5.26
MLOGP
4.64
XLogP3
4.8
Consensus LogP
4.9
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.55
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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