![CAS 2089649-97-6 tert-butyl 5,5-dioxo-4-oxa-5λ-thia-6-azaspiro[2.4]heptane-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2089649-97-6.png)
CAS RN: 2089649-97-6
tert-butyl 5,5-dioxo-4-oxa-5λ-thia-6-azaspiro[2.4]heptane-6-carboxylate
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.20250607 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-098356
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2089649-97-6 / tert-butyl 5,5-dioxo-4-oxa-5lambda6-thia-6-azaspiro[2.4]heptane-6-carboxylate
Basic Information
CAS
2089649-97-6
Multi CAS
No
Molecular Formula
C9H15NO5S
Molecular Weight
249.290000
Exact Mass
249.067094
SMILES
CC(C)(C)OC(=O)N1CC2(CC2)OS1(=O)=O
InChI
InChI=1S/C9H15NO5S/c1-8(2,3)14-7(11)10-6-9(4-5-9)15-16(10,12)13/h4-6H2,1-3H3
InChIKey
OXSRFCSSXSEIMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
54.91
TPSA
72.91
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
0.9
Consensus LogP
0.95
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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)
-3.51
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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