CAS RN: 4177-16-6
2-VINYLPYRAZINE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS4177-16-6
- Purity/Analytical Methods: >99.0%
4177-16-6 / 2-ethenylpyrazine
Basic Information
CAS
4177-16-6
Multi CAS
Yes
Molecular Formula
C6H6N2
Molecular Weight
106.130000
Exact Mass
106.053098
InChI
InChI=1S/C6H6N2/c1-2-6-5-7-3-4-8-6/h2-5H,1H2
InChIKey
KANZWHBYRHQMKZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
32.12
TPSA
25.78
LogP / Solubility
WLOGP
1.12
MLOGP
0.97
XLogP3
0.6
Consensus LogP
0.9
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.24
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
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)
-2.57
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
-
Clotixamide
- CAS RN: 4177-58-6
- Product Code: starshine_CAS4177-58-6
- Purity/Analytical method: >99.0%
-
-
8-(5-HEXYL-2-FURYL)-OCTANOIC ACID
- CAS RN: 4179-44-6
- Product Code: starshine_CAS4179-44-6
- Purity/Analytical method: >99.0%
-
-
Piperazine, 1-methyl-4-[(4-methyl-1-piperazinyl)carbonyl]-
- CAS RN: 4180-30-7
- Product Code: SSC-150158
-
4,4′,4”-TRIACETYLTRIPHENYLAMINE
- CAS RN: 4181-21-9
- Product Code: starshine_CAS4181-21-9
- Purity/Analytical method: >99.0%
![CAS 4180-30-7 Piperazine, 1-methyl-4-[(4-methyl-1-piperazinyl)carbonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/4180-30-7.gif)
