![CAS 124729-98-2 4,4′,4”-Tris[phenyl(m-tolyl)amino]triphenylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t2251-jpgcontextbwfzdgvyfhjvb3r8nde2mjz8aw1hz2uvanblz3xon2qvagnmlzg5mzi1odi5ndg4otqvvdiynteuanbnfgiynjvlmjq1m2mwy2uwzdnhyzixyzmwndk5ntbjmzczymi2yzrknde2mtu5mzu3mzg3m2izymrjogq2zgjknju.jpeg)
CAS RN: 124729-98-2
4,4′,4”-Tris[phenyl(m-tolyl)amino]triphenylamine
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.20250519 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-028880
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 | Shenzhen | Inquiry |
124729-98-2 / 4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
Basic Information
CAS
124729-98-2
Multi CAS
No
Molecular Formula
C57H48N4
Molecular Weight
789.000000
Exact Mass
788.387898
SMILES
CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC(=C6)C)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC(=C9)C
InChI
InChI=1S/C57H48N4/c1-43-16-13-25-55(40-43)59(46-19-7-4-8-20-46)52-34-28-49(29-35-52)58(50-30-36-53(37-31-50)60(47-21-9-5-10-22-47)56-26-14-17-44(2)41-56)51-32-38-54(39-33-51)61(48-23-11-6-12-24-48)57-27-15-18-45(3)42-57/h4-42H,1-3H3
InChIKey
DIVZFUBWFAOMCW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
61
Aromatic heavy atom count
54
Fraction Csp3
0.05
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
259.38
TPSA
12.96
LogP / Solubility
WLOGP
16.49
MLOGP
14.58
XLogP3
16
Consensus LogP
15.69
Log S (ESOL)
-14.98
Class (ESOL)
Insoluble
Log S (Ali)
-17.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.92
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
4.18
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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