![CAS 1823269-80-2 Tert-Butyl 3-Oxo-7-Oxa-2,10-Diazaspiro[4.6]Undecane-10-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823269-80-2.gif)
CAS RN: 1823269-80-2
Tert-Butyl 3-Oxo-7-Oxa-2,10-Diazaspiro[4.6]Undecane-10-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.20250915 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1823269-80-2
- Purity/Analytical Methods: >99.0%
1823269-80-2 / tert-butyl 3-oxo-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxylate
Basic Information
CAS
1823269-80-2
Multi CAS
No
Molecular Formula
C13H22N2O4
Molecular Weight
270.320000
Exact Mass
270.157957
SMILES
CC(C)(C)OC(=O)N1CCOCC2(C1)CC(=O)NC2
InChI
InChI=1S/C13H22N2O4/c1-12(2,3)19-11(17)15-4-5-18-9-13(8-15)6-10(16)14-7-13/h4-9H2,1-3H3,(H,14,16)
InChIKey
HHBOIOAOXQTURG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.69
TPSA
67.87
LogP / Solubility
WLOGP
0.76
MLOGP
0.68
XLogP3
-0.1
Consensus LogP
0.45
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.05
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)
-3.83
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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