![CAS 133426-99-0 IMidazo[1,2-a]pyridine-2,8-dicarboxylic acid, 2,8-diethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/133426-99-0.gif)
CAS RN: 133426-99-0
IMidazo[1,2-a]pyridine-2,8-dicarboxylic acid, 2,8-diethyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250817 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS133426-99-0
- Purity/Analytical Methods: >99.0%
133426-99-0 / diethyl imidazo[1,2-a]pyridine-2,8-dicarboxylate
Basic Information
CAS
133426-99-0
Multi CAS
No
Molecular Formula
C13H14N2O4
Molecular Weight
262.260000
Exact Mass
262.095357
SMILES
CCOC(=O)C1=CC=CN2C1=NC(=C2)C(=O)OCC
InChI
InChI=1S/C13H14N2O4/c1-3-18-12(16)9-6-5-7-15-8-10(14-11(9)15)13(17)19-4-2/h5-8H,3-4H2,1-2H3
InChIKey
UILHKIXKQILPDY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
67.11
TPSA
69.9
LogP / Solubility
WLOGP
1.69
MLOGP
1.49
XLogP3
2.5
Consensus LogP
1.89
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly 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)
-3.12
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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