![CAS 1226000-76-5 2-METHYLIMIDAZO[1,2-A]PYRIDINE-6-CARBONITRILE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62646772.gif)
CAS RN: 1226000-76-5
2-METHYLIMIDAZO[1,2-A]PYRIDINE-6-CARBONITRILE
- Product code: SSC-025622
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1226000-76-5 / 2-methylimidazo[1,2-a]pyridine-6-carbonitrile
Basic Information
CAS
1226000-76-5
Multi CAS
No
Molecular Formula
C9H7N3
Molecular Weight
157.170000
Exact Mass
157.063997
SMILES
CC1=CN2C=C(C=CC2=N1)C#N
InChI
InChI=1S/C9H7N3/c1-7-5-12-6-8(4-10)2-3-9(12)11-7/h2-3,5-6H,1H3
InChIKey
MZAYPKGNTPMDLD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
3
Molar refractivity
44.64
TPSA
41.09
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
1.9
Consensus LogP
1.58
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
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)
-2.6
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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