CAS RN: 22382-94-1
3-Methyl-2-vinylpyridine
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.20250823 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS22382-94-1
- Purity/Analytical Methods: >99.0%
22382-94-1 / 2-ethenyl-3-methylpyridine
Basic Information
CAS
22382-94-1
Multi CAS
No
Molecular Formula
C8H9N
Molecular Weight
119.160000
Exact Mass
119.073499
SMILES
CC1=C(N=CC=C1)C=C
InChI
InChI=1S/C8H9N/c1-3-8-7(2)5-4-6-9-8/h3-6H,1H2,2H3
InChIKey
VBXYZOUPVPNERZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
39.07
TPSA
12.89
LogP / Solubility
WLOGP
2.03
MLOGP
1.78
XLogP3
2
Consensus LogP
1.94
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2
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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