CAS RN: 113919-79-2
2,4,6-Tri(pyridin-4-yl)pyridine
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260109 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260616 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260217 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20251103 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250418 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTP2636
- Purity/Analytical Methods: >98.0%(HPLC)(N)
113919-79-2 / 2,4,6-tripyridin-4-ylpyridine
2,4,6-tri(pyridin-4-yl)pyridine | RefChem:442853 | 878-856-7
Basic Information
CAS
113919-79-2
Multi CAS
No
Molecular Formula
C20H14N4
Molecular Weight
310.400000
Exact Mass
310.121846
SMILES
C1=CN=CC=C1C2=CC(=NC(=C2)C3=CC=NC=C3)C4=CC=NC=C4
InChI
InChI=1S/C20H14N4/c1-7-21-8-2-15(1)18-13-19(16-3-9-22-10-4-16)24-20(14-18)17-5-11-23-12-6-17/h1-14H
InChIKey
FYIKQKXWMOIVTM-UHFFFAOYSA-N
Synonyms
2,4,6-tri(pyridin-4-yl)pyridine
RefChem:442853
878-856-7
6'-(Pyridin-4-yl)-4,2':4',4''-terpyridine
2,4,6-Tris(4-pyridyl)pyridine
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
93.93
TPSA
51.56
LogP / Solubility
WLOGP
4.27
MLOGP
3.77
XLogP3
2.6
Consensus LogP
3.55
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
