![CAS 2197055-58-4 Spiro[3H-indole-3,4′-piperidine]-1′-carboxylic acid, 4-fluoro-1,2-dihydro-2-oxo-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2197055-58-4.png)
CAS RN: 2197055-58-4
Spiro[3H-indole-3,4′-piperidine]-1′-carboxylic acid, 4-fluoro-1,2-dihydro-2-oxo-, 1,1-dimethylethyl 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.20260209 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-105663
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 | Shanghai | Inquiry |
2197055-58-4 / tert-butyl 4-fluoro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
Basic Information
CAS
2197055-58-4
Multi CAS
No
Molecular Formula
C17H21FN2O3
Molecular Weight
320.360000
Exact Mass
320.153621
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)C3=C(C=CC=C3F)NC2=O
InChI
InChI=1S/C17H21FN2O3/c1-16(2,3)23-15(22)20-9-7-17(8-10-20)13-11(18)5-4-6-12(13)19-14(17)21/h4-6H,7-10H2,1-3H3,(H,19,21)
InChIKey
VMYSRVVQZPRBLN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.75
TPSA
58.64
LogP / Solubility
WLOGP
3.05
MLOGP
2.7
XLogP3
2.1
Consensus LogP
2.62
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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![CAS 2197974-48-2 2,5-Bis-(2-ethyl-hexyl)-3-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-thiophen-2-yl]-6-thiophen-2-yl-2,5-dihydro-pyrrolo[3,4-c]pyrrole-1,4-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2197974-48-2.gif)