![CAS 1946021-28-8 tert-butyl 2,4-dioxo-1-oxa-3,7-diazaspiro[4.5]decane-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1946021-28-8.gif)
CAS RN: 1946021-28-8
tert-butyl 2,4-dioxo-1-oxa-3,7-diazaspiro[4.5]decane-7-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.20250626 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1946021-28-8
- Purity/Analytical Methods: >99.0%
1946021-28-8 / tert-butyl 2,4-dioxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxylate
Basic Information
CAS
1946021-28-8
Multi CAS
No
Molecular Formula
C12H18N2O5
Molecular Weight
270.280000
Exact Mass
270.121572
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)C(=O)NC(=O)O2
InChI
InChI=1S/C12H18N2O5/c1-11(2,3)19-10(17)14-6-4-5-12(7-14)8(15)13-9(16)18-12/h4-7H2,1-3H3,(H,13,15,16)
InChIKey
ZFYOLMHKHVOXRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.4
TPSA
84.94
LogP / Solubility
WLOGP
1.02
MLOGP
0.91
XLogP3
0.8
Consensus LogP
0.91
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.64
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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