CAS RN: 918959-39-4
2,6-di(1H-pyrazol-1-yl)-4,4′-bipyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250523 | 100mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINH887466
918959-39-4 / 2,6-di(pyrazol-1-yl)-4-pyridin-4-ylpyridine
Basic Information
CAS
918959-39-4
Multi CAS
No
Molecular Formula
C16H12N6
Molecular Weight
288.310000
Exact Mass
288.112344
InChI
InChI=1S/C16H12N6/c1-5-18-21(9-1)15-11-14(13-3-7-17-8-4-13)12-16(20-15)22-10-2-6-19-22/h1-12H
InChIKey
ZIXBYPISFDQVRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
22
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
81.71
TPSA
61.42
LogP / Solubility
WLOGP
2.52
MLOGP
2.22
XLogP3
2
Consensus LogP
2.25
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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