![CAS 733744-98-4 4-[(4-Bromophenyl)(p-tolyl)amino]benzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4922-jpgcontextbwfzdgvyfhjvb3r8mzuxodf8aw1hz2uvanblz3xoyzyvadhklzg5mjkxndmymjyzotgvqjq5mjiuanbnfgzhodc1mdq5mwjlmwvkmjq0mjzlzja2ndvkmgzkzjjiyjawotdloda4njk2njq1mti0mdi3ogrlyzfjngizntk.jpeg)
CAS RN: 733744-98-4
4-[(4-Bromophenyl)(p-tolyl)amino]benzaldehyde
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: SSC-182839
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
733744-98-4 / 4-(N-(4-bromophenyl)-4-methylanilino)benzaldehyde
Basic Information
CAS
733744-98-4
Multi CAS
No
Molecular Formula
BC20H16ORn
Molecular Weight
366.200000
Exact Mass
365.041530
InChI
InChI=1S/C20H16BrNO/c1-15-2-8-18(9-3-15)22(20-12-6-17(21)7-13-20)19-10-4-16(14-23)5-11-19/h2-14H,1H3
InChIKey
SDKPEZBGWABWKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
98.95
TPSA
20.31
LogP / Solubility
WLOGP
6.04
MLOGP
5.33
XLogP3
5.7
Consensus LogP
5.69
Log S (ESOL)
-6.23
Class (ESOL)
Insoluble
Log S (Ali)
-6.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.53
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
Yes
Log Kp (skin permeation)
-0.67
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
2.5
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