![CAS 177842-81-8 5-Methyl-imidazo[1,2-a]pyrazine-2-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/177842-81-8.gif)
CAS RN: 177842-81-8
5-Methyl-imidazo[1,2-a]pyrazine-2-carboxylic acid ethyl ester
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.20250929 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS177842-81-8
- Purity/Analytical Methods: >99.0%
177842-81-8 / ethyl 5-methylimidazo[1,2-a]pyrazine-2-carboxylate
Basic Information
CAS
177842-81-8
Multi CAS
No
Molecular Formula
C10H11N3O2
Molecular Weight
205.210000
Exact Mass
205.085127
SMILES
CCOC(=O)C1=CN2C(=CN=CC2=N1)C
InChI
InChI=1S/C10H11N3O2/c1-3-15-10(14)8-6-13-7(2)4-11-5-9(13)12-8/h4-6H,3H2,1-2H3
InChIKey
CASMZSKBABDDBL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
53.68
TPSA
56.49
LogP / Solubility
WLOGP
1.21
MLOGP
1.07
XLogP3
1.6
Consensus LogP
1.29
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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