![CAS 884049-52-9 Spiro[piperidine-4,3′-[3H]pyrrolo[2,3-b]pyridin]-2′(1’H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/884049-52-9.gif)
CAS RN: 884049-52-9
Spiro[piperidine-4,3′-[3H]pyrrolo[2,3-b]pyridin]-2′(1’H)-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.20260619 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS884049-52-9
- Purity/Analytical Methods: >99.0%
884049-52-9 / spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
Basic Information
CAS
884049-52-9
Multi CAS
No
Molecular Formula
C11H13N3O
Molecular Weight
203.240000
Exact Mass
203.105862
InChI
InChI=1S/C11H13N3O/c15-10-11(3-6-12-7-4-11)8-2-1-5-13-9(8)14-10/h1-2,5,12H,3-4,6-7H2,(H,13,14,15)
InChIKey
JFFUXCQOFURYMG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.65
TPSA
54.02
LogP / Solubility
WLOGP
0.65
MLOGP
0.58
Consensus LogP
0.41
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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