![CAS 1251000-12-0 6-Oxo-8-Oxa-2,5-Diaza-Spiro[3.5]Nonane-2-Carboxylic Acid Tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1251000-12-0.gif)
CAS RN: 1251000-12-0
6-Oxo-8-Oxa-2,5-Diaza-Spiro[3.5]Nonane-2-Carboxylic Acid Tert-Butyl Ester
- Product code: SSC-029657
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1251000-12-0 / tert-butyl 6-oxo-8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate
Basic Information
CAS
1251000-12-0
Multi CAS
No
Molecular Formula
C11H18N2O4
Molecular Weight
242.270000
Exact Mass
242.126657
SMILES
CC(C)(C)OC(=O)N1CC2(C1)COCC(=O)N2
InChI
InChI=1S/C11H18N2O4/c1-10(2,3)17-9(15)13-5-11(6-13)7-16-4-8(14)12-11/h4-7H2,1-3H3,(H,12,14)
InChIKey
WKDQFJDMUHLDFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.5
TPSA
67.87
LogP / Solubility
WLOGP
0.12
MLOGP
0.11
XLogP3
-0.3
Consensus LogP
-0.02
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
Class (SILICOS-IT)
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)
-4.11
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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