![CAS 203662-66-2 2-Cyano-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/203662-66-2.gif)
CAS RN: 203662-66-2
2-Cyano-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250719 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250313 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20250808 | 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250922 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250519 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260226 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20260118 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-095891
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: 5g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
203662-66-2 / tert-butyl 2-cyano-7-azaspiro[3.5]nonane-7-carboxylate
Basic Information
CAS
203662-66-2
Multi CAS
No
Molecular Formula
C14H22N2O2
Molecular Weight
250.340000
Exact Mass
250.168128
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(C2)C#N
InChI
InChI=1S/C14H22N2O2/c1-13(2,3)18-12(17)16-6-4-14(5-7-16)8-11(9-14)10-15/h11H,4-9H2,1-3H3
InChIKey
RHQBJRGRDIJKGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
67.81
TPSA
53.33
LogP / Solubility
WLOGP
2.94
MLOGP
2.59
XLogP3
1.9
Consensus LogP
2.48
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.73
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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