![CAS 1823269-85-7 Tert-Butyl 4-Oxo-1-Oxa-7-Azaspiro[4.4]Nonane-7-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823269-85-7.gif)
CAS RN: 1823269-85-7
Tert-Butyl 4-Oxo-1-Oxa-7-Azaspiro[4.4]Nonane-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.20250826 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823269-85-7
- Purity/Analytical Methods: >99.0%
1823269-85-7 / tert-butyl 4-oxo-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
Basic Information
CAS
1823269-85-7
Multi CAS
No
Molecular Formula
C12H19NO4
Molecular Weight
241.280000
Exact Mass
241.131408
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)C(=O)CCO2
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(15)13-6-5-12(8-13)9(14)4-7-16-12/h4-8H2,1-3H3
InChIKey
AQKOZWCHBLIVRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
60.73
TPSA
55.84
LogP / Solubility
WLOGP
1.36
MLOGP
1.2
XLogP3
0.5
Consensus LogP
1.02
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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