![CAS 2411406-16-9 5′,5”-bis(4-aminophenyl)-2′,2”,4′,4”,6′,6”-hexamethyl-[1,1′:3′,1”:3”,1”’-quaterphenyl]-4,4”’-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2411406-16-9.gif)
CAS RN: 2411406-16-9
5′,5”-bis(4-aminophenyl)-2′,2”,4′,4”,6′,6”-hexamethyl-[1,1′:3′,1”:3”,1”’-quaterphenyl]-4,4”’-diamine
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.20250926 | 100mg / 250mg | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS2411406-16-9
- Purity/Analytical Methods: >99.0%
2411406-16-9 / 4-[3-(4-aminophenyl)-5-[3,5-bis(4-aminophenyl)-2,4,6-trimethylphenyl]-2,4,6-trimethylphenyl]aniline
Basic Information
CAS
2411406-16-9
Multi CAS
No
Molecular Formula
C42H42N4
Molecular Weight
602.800000
Exact Mass
602.340947
SMILES
CC1=C(C(=C(C(=C1C2=CC=C(C=C2)N)C)C3=C(C(=C(C(=C3C)C4=CC=C(C=C4)N)C)C5=CC=C(C=C5)N)C)C)C6=CC=C(C=C6)N
InChI
InChI=1S/C42H42N4/c1-23-37(29-7-15-33(43)16-8-29)25(3)41(26(4)38(23)30-9-17-34(44)18-10-30)42-27(5)39(31-11-19-35(45)20-12-31)24(2)40(28(42)6)32-13-21-36(46)22-14-32/h7-22H,43-46H2,1-6H3
InChIKey
BJWFLWNXUBDWEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
36
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
199.69
TPSA
104.08
LogP / Solubility
WLOGP
10.2
MLOGP
9.03
XLogP3
9.5
Consensus LogP
9.58
Log S (ESOL)
-10.25
Class (ESOL)
Insoluble
Log S (Ali)
-11.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.65
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.85
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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