CAS RN: 61102-76-9
4-(2,6-diphenylpyridin-4-yl)aniline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251115 | 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS61102-76-9
- Purity/Analytical Methods: >99.0%
61102-76-9 / 4-(2,6-diphenyl-4-pyridinyl)aniline
Basic Information
CAS
61102-76-9
Multi CAS
No
Molecular Formula
C23H18N2
Molecular Weight
322.400000
Exact Mass
322.146999
InChI
InChI=1S/C23H18N2/c24-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)25-23(16-20)19-9-5-2-6-10-19/h1-16H,24H2
InChIKey
TYRDEFILBHSGHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
104.96
TPSA
38.91
LogP / Solubility
WLOGP
5.66
MLOGP
5
XLogP3
5.1
Consensus LogP
5.25
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.82
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)
-0.66
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
3
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