![CAS 1357351-88-2 1-Oxo-2,8-Diaza-Spiro[4.5]Decane-4,8-Dicarboxylic Acid 8-Tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1357351-88-2.gif)
CAS RN: 1357351-88-2
1-Oxo-2,8-Diaza-Spiro[4.5]Decane-4,8-Dicarboxylic Acid 8-Tert-Butyl Ester
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251020 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1357351-88-2
- Purity/Analytical Methods: >99.0%
1357351-88-2 / 8-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxo-2,8-diazaspiro[4.5]decane-4-carboxylic acid
Basic Information
CAS
1357351-88-2
Multi CAS
No
Molecular Formula
C14H22N2O5
Molecular Weight
298.330000
Exact Mass
298.152872
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)C(CNC2=O)C(=O)O
InChI
InChI=1S/C14H22N2O5/c1-13(2,3)21-12(20)16-6-4-14(5-7-16)9(10(17)18)8-15-11(14)19/h9H,4-8H2,1-3H3,(H,15,19)(H,17,18)
InChIKey
HHTDYNSRUVDABW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.79
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.61
TPSA
95.94
LogP / Solubility
WLOGP
0.83
MLOGP
0.75
Consensus LogP
0.53
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4
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