![CAS 1516750-51-8 6-Bromo-8-methoxy-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1516750-51-8.gif)
CAS RN: 1516750-51-8
6-Bromo-8-methoxy-imidazo[1,2-a]pyridine-2-carboxylic acid ethyl ester
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.20250814 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1516750-51-8
- Purity/Analytical Methods: >99.0%
1516750-51-8 / ethyl 6-bromo-8-methoxyimidazo[1,2-a]pyridine-2-carboxylate
Basic Information
CAS
1516750-51-8
Multi CAS
No
Molecular Formula
C11H11BrN2O3
Molecular Weight
299.120000
Exact Mass
297.995300
SMILES
CCOC(=O)C1=CN2C=C(C=C(C2=N1)OC)Br
InChI
InChI=1S/C11H11BrN2O3/c1-3-17-11(15)8-6-14-5-7(12)4-9(16-2)10(14)13-8/h4-6H,3H2,1-2H3
InChIKey
ZBOKUADWCZBMGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
65.4
TPSA
52.83
LogP / Solubility
WLOGP
2.28
MLOGP
2.02
XLogP3
3
Consensus LogP
2.43
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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