CAS RN: 20440-92-0
(4-Nitrophenyl)-di-p-tolylamine
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.20250221 | 100mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS20440-92-0
- Purity/Analytical Methods: >99.0%
20440-92-0 / 4-methyl-N-(4-methylphenyl)-N-(4-nitrophenyl)aniline
Basic Information
CAS
20440-92-0
Multi CAS
No
Molecular Formula
C20H18N2O2
Molecular Weight
318.400000
Exact Mass
318.136828
SMILES
CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H18N2O2/c1-15-3-7-17(8-4-15)21(18-9-5-16(2)6-10-18)19-11-13-20(14-12-19)22(23)24/h3-14H,1-2H3
InChIKey
QQPWXACSUPBIDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
97.25
TPSA
46.38
LogP / Solubility
WLOGP
5.68
MLOGP
5.01
XLogP3
5.7
Consensus LogP
5.46
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.93
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)
-0.63
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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![CAS 20443-74-7 4′-CHLORO[1,1′-BIPHENYL]-4-SULFONYL CHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/20443-74-7.gif)
