![CAS 1400766-07-5 Ethyl 3,6-diMethyliMidazo[1,2-a]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1400766-07-5(2).gif)
CAS RN: 1400766-07-5
Ethyl 3,6-diMethyliMidazo[1,2-a]pyridine-2-carboxylate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260110 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1400766-07-5
- Purity/Analytical Methods: >99.0%
1400766-07-5 / ethyl 3,6-dimethylimidazo[1,2-a]pyridine-2-carboxylate
Basic Information
CAS
1400766-07-5
Multi CAS
No
Molecular Formula
C12H14N2O2
Molecular Weight
218.250000
Exact Mass
218.105528
SMILES
CCOC(=O)C1=C(N2C=C(C=CC2=N1)C)C
InChI
InChI=1S/C12H14N2O2/c1-4-16-12(15)11-9(3)14-7-8(2)5-6-10(14)13-11/h5-7H,4H2,1-3H3
InChIKey
SOBNLPXYIXURNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
60.62
TPSA
43.6
LogP / Solubility
WLOGP
2.13
MLOGP
1.87
XLogP3
3.1
Consensus LogP
2.37
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
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)
-2.54
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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