![CAS 1266114-63-9 3H-IMidazo[4,5-c]pyridine-7-carboxylic acid, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1266114-63-9.gif)
CAS RN: 1266114-63-9
3H-IMidazo[4,5-c]pyridine-7-carboxylic acid, ethyl ester
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.20250206 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1266114-63-9
- Purity/Analytical Methods: >99.0%
1266114-63-9 / ethyl 3H-imidazo[4,5-c]pyridine-7-carboxylate
Basic Information
CAS
1266114-63-9
Multi CAS
No
Molecular Formula
C9H9N3O2
Molecular Weight
191.190000
Exact Mass
191.069477
SMILES
CCOC(=O)C1=CN=CC2=C1N=CN2
InChI
InChI=1S/C9H9N3O2/c1-2-14-9(13)6-3-10-4-7-8(6)12-5-11-7/h3-5H,2H2,1H3,(H,11,12)
InChIKey
VYYJINSKLFNOGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.85
TPSA
67.87
LogP / Solubility
WLOGP
1.13
MLOGP
1
XLogP3
0.6
Consensus LogP
0.91
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08
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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