![CAS 132564-22-8 tert-butyl 6-oxo-1-azaspiro[4.4]nonane-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/132564-22-8.gif)
CAS RN: 132564-22-8
tert-butyl 6-oxo-1-azaspiro[4.4]nonane-1-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.20250609 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS132564-22-8
- Purity/Analytical Methods: >99.0%
132564-22-8 / tert-butyl 9-oxo-1-azaspiro[4.4]nonane-1-carboxylate
Basic Information
CAS
132564-22-8
Multi CAS
No
Molecular Formula
C13H21NO3
Molecular Weight
239.310000
Exact Mass
239.152144
SMILES
CC(C)(C)OC(=O)N1CCCC12CCCC2=O
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-9-5-8-13(14)7-4-6-10(13)15/h4-9H2,1-3H3
InChIKey
BHTLCXQCKBZQTH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
63.76
TPSA
46.61
LogP / Solubility
WLOGP
2.51
MLOGP
2.21
XLogP3
1.7
Consensus LogP
2.14
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4
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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![CAS 132605-19-7 2-MERCAPTO-3-METHYL-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2682293.gif)
