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CAS 55031-15-7 2-Ethyl-3,5-dimethylpyrazine molecular structure lightbox
CAS RN: 55031-15-7

2-Ethyl-3,5-dimethylpyrazine

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260619 25g In stock Shandong Inquiry
Batchno.20260208 5g In stock Shanghai, Shandong, Chongqing Inquiry
  • Product code: starshine_CAS55031-15-7
  • Purity/Analytical Methods: >99.0%
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55031-15-7 / 2-ethyl-3,5-dimethylpyrazine

Standard CAS: 55031-15-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
55031-15-7
Multi CAS
Yes
Molecular Formula
C8H12N2
Molecular Weight
136.190000
Exact Mass
136.100048
InChI
InChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3
InChIKey
JZBCTZLGKSYRSF-UHFFFAOYSA-N

Physical Properties

Boiling Point
180.00 to 182.00 °C. @ 760.00 mm Hg
Density
0.950-0.980 0.952-0.961
Physical Description
colourless to slightly yellow liquid with a toasted nut, chocolaty, sweet woody odour colourless to slightly yellow liquid
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
1.5
Consensus LogP
1.54
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

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