CAS RN: 133416-11-2
4,4′-(oxybis(4,1-phenylene))dipyridine
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.20251111 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINO913896
133416-11-2 / 4-[4-(4-pyridin-4-ylphenoxy)phenyl]pyridine
Basic Information
CAS
133416-11-2
Multi CAS
No
Molecular Formula
C22H16N2O
Molecular Weight
324.400000
Exact Mass
324.126263
SMILES
C1=CC(=CC=C1C2=CC=NC=C2)OC3=CC=C(C=C3)C4=CC=NC=C4
InChI
InChI=1S/C22H16N2O/c1-5-21(6-2-17(1)19-9-13-23-14-10-19)25-22-7-3-18(4-8-22)20-11-15-24-16-12-20/h1-16H
InChIKey
GYAUMGYIJNUMIZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
99.42
TPSA
35.01
LogP / Solubility
WLOGP
5.6
MLOGP
4.95
XLogP3
4.6
Consensus LogP
5.05
Log S (ESOL)
-5.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.9
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
No
Log Kp (skin permeation)
-0.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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