CAS RN: 13959-34-7
4-METHYL-2-VINYL-PYRIDINE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: starshine_CAS13959-34-7
- Purity/Analytical Methods: >99.0%
13959-34-7 / 2-ethenyl-4-methylpyridine
Basic Information
CAS
13959-34-7
Multi CAS
No
Molecular Formula
C8H9N
Molecular Weight
119.160000
Exact Mass
119.073499
SMILES
CC1=CC(=NC=C1)C=C
InChI
InChI=1S/C8H9N/c1-3-8-6-7(2)4-5-9-8/h3-6H,1H2,2H3
InChIKey
WVNIWWGCVMYYJZ-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
Customers Also Viewed
-
2-(diethoxymethyl)thiophene
- CAS RN: 13959-97-2
- Product Code: starshine_CAS13959-97-2
- Purity/Analytical method: >99.0%
-
-
-
(1R,5S,9-anti)-3-Methyl-3-azabicyclo[3.3.1]nonane-9-ol
- CAS RN: 13962-79-3
- Product Code: starshine_CAS13962-79-3
- Purity/Analytical method: >99.0%
-
2,5-Diphenylbenzene-1,4-dicarboxylic acid
- CAS RN: 13962-92-0
- Product Code: starshine_CAS13962-92-0
- Purity/Analytical method: >99.0%
-
Potassium hexacyanocobaltate(III)
- CAS RN: 13963-58-1
- Product Code: starshine_CAS13963-58-1
- Purity/Analytical method: >99.0%
![CAS 13962-79-3 (1R,5S,9-anti)-3-Methyl-3-azabicyclo[3.3.1]nonane-9-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/13962-79-3.gif)
