CAS RN: 1196153-43-1
2-Ethynyl-6-methoxy-pyrazine
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.20250606 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1196153-43-1
- Purity/Analytical Methods: >99.0%
1196153-43-1 / 2-ethynyl-6-methoxypyrazine
2-ETHYNYL-6-METHOXYPYRAZINE | 2-ethynyl-6-methoxy-pyrazine | SCHEMBL26910306
Basic Information
CAS
1196153-43-1
Multi CAS
No
Molecular Formula
C7H6N2O
Molecular Weight
134.140000
Exact Mass
134.048013
SMILES
COC1=NC(=CN=C1)C#C
InChI
InChI=1S/C7H6N2O/c1-3-6-4-8-5-7(9-6)10-2/h1,4-5H,2H3
InChIKey
AHSIAHVNSNWTBX-UHFFFAOYSA-N
Synonyms
2-ETHYNYL-6-METHOXYPYRAZINE
2-ethynyl-6-methoxy-pyrazine
SCHEMBL26910306
SCHEMBL30677775
Pyrazine, 2-ethynyl-6-methoxy-
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
36.52
TPSA
35.01
LogP / Solubility
WLOGP
0.47
MLOGP
0.4
XLogP3
1.2
Consensus LogP
0.69
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.04
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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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