![CAS 1032158-48-7 TERT-BUTYL 1-OXO-2,7-DIAZASPIRO[3.5]NONANE-7-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1032158-48-7.gif)
CAS RN: 1032158-48-7
TERT-BUTYL 1-OXO-2,7-DIAZASPIRO[3.5]NONANE-7-CARBOXYLATE
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-004647
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1032158-48-7 / tert-butyl 3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate
7-Boc-1-oxo-2,7-diazaspiro[3.5]nonane | tert-butyl 1-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate | MFCD12198504
Basic Information
CAS
1032158-48-7
Multi CAS
Yes
Molecular Formula
C12H20N2O3
Molecular Weight
240.300000
Exact Mass
240.147393
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CNC2=O
InChI
InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-6-4-12(5-7-14)8-13-9(12)15/h4-8H2,1-3H3,(H,13,15)
InChIKey
LQQAOPZWMYAJSP-UHFFFAOYSA-N
Synonyms
7-Boc-1-oxo-2,7-diazaspiro[3.5]nonane
tert-butyl 1-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate
MFCD12198504
TERT-BUTYL 3-OXO-2,7-DIAZASPIRO[3.5]NONANE-7-CARBOXYLATE
SCHEMBL769742
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.48
TPSA
58.64
LogP / Solubility
WLOGP
1.13
MLOGP
1
XLogP3
0.5
Consensus LogP
0.88
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-3.38
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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