![CAS 1428799-33-0 1′,2′-dihydrospiro[cyclopentane-1,3′-pyrrolo[2,3-b]pyridin]-2′-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1428799-33-0.gif)
CAS RN: 1428799-33-0
1′,2′-dihydrospiro[cyclopentane-1,3′-pyrrolo[2,3-b]pyridin]-2′-one
- Product code: SSC-054141
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 | Hong Kong | Inquiry |
1428799-33-0 / spiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-2-one
Basic Information
CAS
1428799-33-0
Multi CAS
No
Molecular Formula
C11H12N2O
Molecular Weight
188.230000
Exact Mass
188.094963
SMILES
C1CCC2(C1)C3=C(NC2=O)N=CC=C3
InChI
InChI=1S/C11H12N2O/c14-10-11(5-1-2-6-11)8-4-3-7-12-9(8)13-10/h3-4,7H,1-2,5-6H2,(H,12,13,14)
InChIKey
OEIJFYJADJFLCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.01
TPSA
41.99
LogP / Solubility
WLOGP
1.85
MLOGP
1.62
XLogP3
1.5
Consensus LogP
1.66
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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