![CAS 1408076-43-6 tert-butyl 3-oxo-1-oxa-6-azaspiro[3.4]octane-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1408076-43-6.gif)
CAS RN: 1408076-43-6
tert-butyl 3-oxo-1-oxa-6-azaspiro[3.4]octane-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.20260515 | 50mg / 250mg | Out of stock | 30 business days | Inquiry |
- Product code: SSC-051373
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 |
1408076-43-6 / tert-butyl 3-oxo-1-oxa-7-azaspiro[3.4]octane-7-carboxylate
Basic Information
CAS
1408076-43-6
Multi CAS
No
Molecular Formula
C11H17NO4
Molecular Weight
227.260000
Exact Mass
227.115758
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)C(=O)CO2
InChI
InChI=1S/C11H17NO4/c1-10(2,3)16-9(14)12-5-4-11(7-12)8(13)6-15-11/h4-7H2,1-3H3
InChIKey
PREBLSNLWAUDSK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
56.11
TPSA
55.84
LogP / Solubility
WLOGP
0.97
MLOGP
0.85
XLogP3
0.6
Consensus LogP
0.81
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.94
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)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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