![CAS 1363381-43-4 8-Boc-2-oxo-3-oxa-1,8-diaza-spiro[5.5]undecane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1363381-43-4.gif)
CAS RN: 1363381-43-4
8-Boc-2-oxo-3-oxa-1,8-diaza-spiro[5.5]undecane
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.20251002 | 100mg / 500mg | Out of stock | 30 business days | Inquiry |
- Product code: SSC-045326
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1363381-43-4 / tert-butyl 2-oxo-3-oxa-1,8-diazaspiro[5.5]undecane-8-carboxylate
Basic Information
CAS
1363381-43-4
Multi CAS
No
Molecular Formula
C13H22N2O4
Molecular Weight
270.320000
Exact Mass
270.157957
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CCOC(=O)N2
InChI
InChI=1S/C13H22N2O4/c1-12(2,3)19-11(17)15-7-4-5-13(9-15)6-8-18-10(16)14-13/h4-9H2,1-3H3,(H,14,16)
InChIKey
PSJVWIIBVVDMHJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.87
TPSA
67.87
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
1.3
Consensus LogP
1.62
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.98
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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