![CAS 204132-38-7 1-Boc-2-oxo-1-azaspiro[3.4]octane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/204132-38-7.gif)
CAS RN: 204132-38-7
1-Boc-2-oxo-1-azaspiro[3.4]octane
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250802 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS204132-38-7
- Purity/Analytical Methods: >99.0%
204132-38-7 / tert-butyl 2-oxo-1-azaspiro[3.4]octane-1-carboxylate
Basic Information
CAS
204132-38-7
Multi CAS
No
Molecular Formula
C12H19NO3
Molecular Weight
225.280000
Exact Mass
225.136493
SMILES
CC(C)(C)OC(=O)N1C(=O)CC12CCCC2
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-9(14)8-12(13)6-4-5-7-12/h4-8H2,1-3H3
InChIKey
QQHXHYOTDZRDSM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
58.9
TPSA
46.61
LogP / Solubility
WLOGP
2.47
MLOGP
2.17
XLogP3
1.7
Consensus LogP
2.11
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
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)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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