![CAS 185961-99-3 1-(piperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/185961-99-3.gif)
CAS RN: 185961-99-3
1-(piperidin-4-yl)-1H-imidazo[4,5-b]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.20250808 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-086132
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 | Beijing | Inquiry |
185961-99-3 / 1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one
Basic Information
CAS
185961-99-3
Multi CAS
No
Molecular Formula
C11H14N4O
Molecular Weight
218.260000
Exact Mass
218.116761
SMILES
C1CNCCC1N2C3=C(NC2=O)N=CC=C3
InChI
InChI=1S/C11H14N4O/c16-11-14-10-9(2-1-5-13-10)15(11)8-3-6-12-7-4-8/h1-2,5,8,12H,3-4,6-7H2,(H,13,14,16)
InChIKey
NNTFPLKBXGDCPG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.49
TPSA
62.71
LogP / Solubility
WLOGP
0.65
MLOGP
0.57
XLogP3
0.1
Consensus LogP
0.44
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
Class (SILICOS-IT)
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)
-3.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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