CAS RN: 76185-65-4
N,N,N’,N’-Tetrakis(p-tolyl)benzidine
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.20250105 | 1g | In stock | Shanghai, Shandong | Inquiry |
- Product code: ICTT2269
- Purity/Analytical Methods: >98.0%(HPLC)(N)
76185-65-4 / 4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
Basic Information
CAS
76185-65-4
Multi CAS
No
Molecular Formula
C40H36N2
Molecular Weight
544.700000
Exact Mass
544.287849
InChI
InChI=1S/C40H36N2/c1-29-5-17-35(18-6-29)41(36-19-7-30(2)8-20-36)39-25-13-33(14-26-39)34-15-27-40(28-16-34)42(37-21-9-31(3)10-22-37)38-23-11-32(4)12-24-38/h5-28H,1-4H3
InChIKey
MVIXNQZIMMIGEL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
36
Fraction Csp3
0.1
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
180.19
TPSA
6.48
LogP / Solubility
WLOGP
11.53
MLOGP
10.19
XLogP3
11.5
Consensus LogP
11.07
Log S (ESOL)
-10.65
Class (ESOL)
Insoluble
Log S (Ali)
-12.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.61
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)
2.14
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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