![CAS 190381-50-1 Imidazo[1,2-a]pyrazine-3-carboxylic acid, 2,6-dimethyl- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/190381-50-1.gif)
CAS RN: 190381-50-1
Imidazo[1,2-a]pyrazine-3-carboxylic acid, 2,6-dimethyl- (9CI)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251009 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS190381-50-1
- Purity/Analytical Methods: >99.0%
190381-50-1 / 2,6-dimethylimidazo[1,2-a]pyrazine-3-carboxylic acid
Basic Information
CAS
190381-50-1
Multi CAS
No
Molecular Formula
C9H9N3O2
Molecular Weight
191.190000
Exact Mass
191.069477
SMILES
CC1=CN2C(=NC(=C2C(=O)O)C)C=N1
InChI
InChI=1S/C9H9N3O2/c1-5-4-12-7(3-10-5)11-6(2)8(12)9(13)14/h3-4H,1-2H3,(H,13,14)
InChIKey
DKTXOPQYFSOHFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.42
TPSA
67.49
LogP / Solubility
WLOGP
1.04
MLOGP
0.92
XLogP3
1.4
Consensus LogP
1.12
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.14
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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