![CAS 847978-62-5 4-[N-(4-bromophenyl)-N-phenylamine]benzaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/847978-62-5.png)
CAS RN: 847978-62-5
4-[N-(4-bromophenyl)-N-phenylamine]benzaldehyde
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.20260205 | 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-192425
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
847978-62-5 / 4-(N-(4-bromophenyl)anilino)benzaldehyde
Basic Information
CAS
847978-62-5
Multi CAS
No
Molecular Formula
BC19H14ORn
Molecular Weight
352.200000
Exact Mass
351.025880
InChI
InChI=1S/C19H14BrNO/c20-16-8-12-19(13-9-16)21(17-4-2-1-3-5-17)18-10-6-15(14-22)7-11-18/h1-14H
InChIKey
MQTHEBZGRNWINU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
94.21
TPSA
20.31
LogP / Solubility
WLOGP
5.73
MLOGP
5.06
XLogP3
5.3
Consensus LogP
5.36
Log S (ESOL)
-5.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.19
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)
-0.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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