![CAS 2227206-16-6 4-oxa-7-azaspiro[2.5]octan-8-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB43358511.gif)
CAS RN: 2227206-16-6
4-oxa-7-azaspiro[2.5]octan-8-one
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.20250720 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2227206-16-6
- Purity/Analytical Methods: >99.0%
2227206-16-6 / 4-oxa-7-azaspiro[2.5]octan-8-one
Basic Information
CAS
2227206-16-6
Multi CAS
No
Molecular Formula
C6H9NO2
Molecular Weight
127.140000
Exact Mass
127.063329
SMILES
C1CC12C(=O)NCCO2
InChI
InChI=1S/C6H9NO2/c8-5-6(1-2-6)9-4-3-7-5/h1-4H2,(H,7,8)
InChIKey
CBPNRBBOXIDXPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.93
TPSA
38.33
LogP / Solubility
WLOGP
-0.33
MLOGP
-0.3
XLogP3
-0.5
Consensus LogP
-0.38
Log S (ESOL)
-0.42
Class (ESOL)
Very soluble
Log S (Ali)
-0.36
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.21
Class (SILICOS-IT)
Very 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)
-3.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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