![CAS 40423-52-7 1-methyl-1H-imidazo[4,5-c]pyridin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/40423-52-7.gif)
CAS RN: 40423-52-7
1-methyl-1H-imidazo[4,5-c]pyridin-2(3H)-one
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.20250921 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS40423-52-7
- Purity/Analytical Methods: >99.0%
40423-52-7 / 1-methyl-3H-imidazo[4,5-c]pyridin-2-one
Basic Information
CAS
40423-52-7
Multi CAS
No
Molecular Formula
C7H7N3O
Molecular Weight
149.150000
Exact Mass
149.058912
InChI
InChI=1S/C7H7N3O/c1-10-6-2-3-8-4-5(6)9-7(10)11/h2-4H,1H3,(H,9,11)
InChIKey
YMJWXQIUTGOQMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.33
TPSA
50.68
LogP / Solubility
WLOGP
0.26
MLOGP
0.22
XLogP3
-0.3
Consensus LogP
0.06
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very 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)
-3.44
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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