CAS RN: 89114-74-9
4-Styryltriphenylamine
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: SSC-200980
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
89114-74-9 / N,N-diphenyl-4-[(E)-2-phenylethenyl]aniline
Basic Information
CAS
89114-74-9
Multi CAS
Yes
Molecular Formula
C26H21N
Molecular Weight
347.400000
Exact Mass
347.167400
InChI
InChI=1S/C26H21N/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H/b17-16+
InChIKey
DXYYLUGHPCHMRQ-WUKNDPDISA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
116.5
TPSA
3.24
LogP / Solubility
WLOGP
7.33
MLOGP
6.47
XLogP3
7.4
Consensus LogP
7.07
Log S (ESOL)
-6.94
Class (ESOL)
Insoluble
Log S (Ali)
-7.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.6
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
No
Log Kp (skin permeation)
0.36
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
3
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N-Methyl-4-nitro-N-[2-(4-nitrophenoxy)ethyl]phenylethylamine
- CAS RN: 115287-37-1
- Product Code: SSC-015031
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