CAS RN: 1802-28-4
2,2′-BIPYRIDINE-5-CARBONITRILE
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.20250108 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | 15 business days | Inquiry |
- Product code: starshine_CAS1802-28-4
- Purity/Analytical Methods: >99.0%
1802-28-4 / 6-pyridin-2-ylpyridine-3-carbonitrile
Basic Information
CAS
1802-28-4
Multi CAS
No
Molecular Formula
C11H7N3
Molecular Weight
181.190000
Exact Mass
181.063997
SMILES
C1=CC=NC(=C1)C2=NC=C(C=C2)C#N
InChI
InChI=1S/C11H7N3/c12-7-9-4-5-11(14-8-9)10-3-1-2-6-13-10/h1-6,8H
InChIKey
PXIRMJXGWBMBHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
52.18
TPSA
49.57
LogP / Solubility
WLOGP
2.02
MLOGP
1.77
XLogP3
1.4
Consensus LogP
1.73
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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