![CAS 1542727-44-5 1-(Imidazo[1,2-a]pyridin-5-yl)ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1542727-44-5.gif)
CAS RN: 1542727-44-5
1-(Imidazo[1,2-a]pyridin-5-yl)ethanone
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.20250803 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1542727-44-5
- Purity/Analytical Methods: >99.0%
1542727-44-5 / 1-imidazo[1,2-a]pyridin-5-ylethanone
Basic Information
CAS
1542727-44-5
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
SMILES
CC(=O)C1=CC=CC2=NC=CN21
InChI
InChI=1S/C9H8N2O/c1-7(12)8-3-2-4-9-10-5-6-11(8)9/h2-6H,1H3
InChIKey
WIEWMQRUZCIQCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
45.2
TPSA
34.37
LogP / Solubility
WLOGP
1.54
MLOGP
1.35
XLogP3
1.8
Consensus LogP
1.56
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
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)
-2.61
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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