CAS RN: 2266619-47-8
3,3′,5,5′-tetra(pyridin-4-yl)-1,1′-biphenyl
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260109 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS2266619-47-8
- Purity/Analytical Methods: >99.0%
2266619-47-8 / 4-[3-(3,5-dipyridin-4-ylphenyl)-5-pyridin-4-ylphenyl]pyridine
Basic Information
CAS
2266619-47-8
Multi CAS
No
Molecular Formula
C32H22N4
Molecular Weight
462.500000
Exact Mass
462.184447
SMILES
C1=CN=CC=C1C2=CC(=CC(=C2)C3=CC(=CC(=C3)C4=CC=NC=C4)C5=CC=NC=C5)C6=CC=NC=C6
InChI
InChI=1S/C32H22N4/c1-9-33-10-2-23(1)27-17-28(24-3-11-34-12-4-24)20-31(19-27)32-21-29(25-5-13-35-14-6-25)18-30(22-32)26-7-15-36-16-8-26/h1-22H
InChIKey
CSKZRGHMNLEOJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
36
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
144.8
TPSA
51.56
LogP / Solubility
WLOGP
7.6
MLOGP
6.72
XLogP3
5.8
Consensus LogP
6.71
Log S (ESOL)
-7.91
Class (ESOL)
Insoluble
Log S (Ali)
-8.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.58
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)
-0.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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