CAS RN: 128143-86-2
6′,6”-BIS(2-PYRIDYL)-2,2′:4′,4”:2”,2”’-QUATERPYRIDINE
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250602 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS128143-86-2
- Purity/Analytical Methods: >99.0%
128143-86-2 / 4-(2,6-dipyridin-2-yl-4-pyridinyl)-2,6-dipyridin-2-ylpyridine
Basic Information
CAS
128143-86-2
Multi CAS
No
Molecular Formula
C30H20N6
Molecular Weight
464.500000
Exact Mass
464.174945
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC(=NC(=C4)C5=CC=CC=N5)C6=CC=CC=N6
InChI
InChI=1S/C30H20N6/c1-5-13-31-23(9-1)27-17-21(18-28(35-27)24-10-2-6-14-32-24)22-19-29(25-11-3-7-15-33-25)36-30(20-22)26-12-4-8-16-34-26/h1-20H
InChIKey
MJIFJDSQZXDTOT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
36
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
140.39
TPSA
77.34
LogP / Solubility
WLOGP
6.39
MLOGP
5.66
XLogP3
3.9
Consensus LogP
5.32
Log S (ESOL)
-7.16
Class (ESOL)
Insoluble
Log S (Ali)
-7.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.58
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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
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