CAS RN: 15707-34-3
5-Ethyl-2,3-dimethylpyrazine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260512 | 1g / 5g / 25g | Confirm by inquiry | Shandong, Hebei, Shanghai | Inquiry |
- Product code: ICTE0828
- Purity/Analytical Methods: >98.0%(GC)(T)
15707-34-3 / 5-ethyl-2,3-dimethylpyrazine
Basic Information
CAS
15707-34-3
Multi CAS
No
Molecular Formula
C8H12N2
Molecular Weight
136.190000
Exact Mass
136.100048
SMILES
CCC1=CN=C(C(=N1)C)C
InChI
InChI=1S/C8H12N2/c1-4-8-5-9-6(2)7(3)10-8/h5H,4H2,1-3H3
InChIKey
CIBKSMZEVHTQLG-UHFFFAOYSA-N
Physical Properties
Boiling Point
190.00 to 191.00 °C. @ 760.00 mm Hg
Density
0.944-0.982 (20°)
Physical Description
Clear colourless or pale yellow liquid; Deep roasted cocoa-like aroma
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
40.88
TPSA
25.78
LogP / Solubility
WLOGP
1.66
MLOGP
1.45
XLogP3
1.4
Consensus LogP
1.5
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (29.7%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
