CAS RN: 32737-14-7
2-Ethoxy-3-methylpyrazine
Product Availability
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3 package records3 with current stock1 grade group
- Product code: ICTM0809
- Purity/Analytical Methods: >98.0%(GC)(T)
32737-14-7 / 2-ethoxy-3-methylpyrazine
Basic Information
CAS
32737-14-7
Multi CAS
Yes
Molecular Formula
C7H10N2O
Molecular Weight
138.170000
Exact Mass
138.079313
InChI
InChI=1S/C7H10N2O/c1-3-10-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3
InChIKey
MMKWCKGYULOKET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
37.94
TPSA
35.01
LogP / Solubility
WLOGP
1.18
MLOGP
1.03
XLogP3
1.8
Consensus LogP
1.34
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
