![CAS 123531-24-8 6-CHLORO-IMIDAZO[1,2-A]PYRIDINE-3-CARBONITRILE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/123531-24-8.gif)
CAS RN: 123531-24-8
6-CHLORO-IMIDAZO[1,2-A]PYRIDINE-3-CARBONITRILE
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.20250623 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS123531-24-8
- Purity/Analytical Methods: >99.0%
123531-24-8 / 6-chloroimidazo[1,2-a]pyridine-3-carbonitrile
Basic Information
CAS
123531-24-8
Multi CAS
No
Molecular Formula
C8H4ClN3
Molecular Weight
177.590000
Exact Mass
177.009375
SMILES
C1=CC2=NC=C(N2C=C1Cl)C#N
InChI
InChI=1S/C8H4ClN3/c9-6-1-2-8-11-4-7(3-10)12(8)5-6/h1-2,4-5H
InChIKey
PZIUWGQZDDJQMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
44.92
TPSA
41.09
LogP / Solubility
WLOGP
1.86
MLOGP
1.63
XLogP3
2.4
Consensus LogP
1.96
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.48
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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