CAS RN: 135853-33-7
6-(1H-pyrazol-1-yl)-2,2′-bipyridine
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.20251103 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS135853-33-7
- Purity/Analytical Methods: >99.0%
135853-33-7 / 2-pyrazol-1-yl-6-pyridin-2-ylpyridine
Basic Information
CAS
135853-33-7
Multi CAS
No
Molecular Formula
C13H10N4
Molecular Weight
222.240000
Exact Mass
222.090546
SMILES
C1=CC=NC(=C1)C2=NC(=CC=C2)N3C=CC=N3
InChI
InChI=1S/C13H10N4/c1-2-8-14-11(5-1)12-6-3-7-13(16-12)17-10-4-9-15-17/h1-10H
InChIKey
VIMBMAKZWNNQGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
64.59
TPSA
43.6
LogP / Solubility
WLOGP
2.33
MLOGP
2.05
XLogP3
1.8
Consensus LogP
2.06
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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