![CAS 1038828-20-4 ethyl 3-methylH-imidazo[1,2-a]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1038828-20-4.gif)
CAS RN: 1038828-20-4
ethyl 3-methylH-imidazo[1,2-a]pyridine-2-carboxylate
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.20250313 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1038828-20-4
- Purity/Analytical Methods: >99.0%
1038828-20-4 / ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate
ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate | ethyl 3-methylH-imidazo[1,2-a]pyridine-2-carboxylate | SCHEMBL872190
Basic Information
CAS
1038828-20-4
Multi CAS
No
Molecular Formula
C11H12N2O2
Molecular Weight
204.220000
Exact Mass
204.089878
SMILES
CCOC(=O)C1=C(N2C=CC=CC2=N1)C
InChI
InChI=1S/C11H12N2O2/c1-3-15-11(14)10-8(2)13-7-5-4-6-9(13)12-10/h4-7H,3H2,1-2H3
InChIKey
IFMJYALATKVPJN-UHFFFAOYSA-N
Synonyms
ethyl 3-methylimidazo[1,2-a]pyridine-2-carboxylate
ethyl 3-methylH-imidazo[1,2-a]pyridine-2-carboxylate
SCHEMBL872190
IFMJYALATKVPJN-UHFFFAOYSA-N
imidazo[1,2-a]pyridine-2-carboxylic acid,3-methyl-,ethyl ester
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
55.89
TPSA
43.6
LogP / Solubility
WLOGP
1.82
MLOGP
1.6
XLogP3
2.7
Consensus LogP
2.04
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
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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![CAS 1038866-44-2 Spiro[piperidine-4,4′-pyrido[2,3-d][1,3]oxazin]-2′(1’H)-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1038866-44-2.gif)
