![CAS 2055841-96-6 6-Azaspiro[3.4]octane-6,8-dicarboxylic acid, 6-(1,1-dimethylethyl) 8-ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2055841-96-6.png)
CAS RN: 2055841-96-6
6-Azaspiro[3.4]octane-6,8-dicarboxylic acid, 6-(1,1-dimethylethyl) 8-ethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250722 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-096814
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 | Beijing | Inquiry |
2055841-96-6 / 6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate
Basic Information
CAS
2055841-96-6
Multi CAS
No
Molecular Formula
C15H25NO4
Molecular Weight
283.360000
Exact Mass
283.178358
SMILES
CCOC(=O)C1CN(CC12CCC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H25NO4/c1-5-19-12(17)11-9-16(10-15(11)7-6-8-15)13(18)20-14(2,3)4/h11H,5-10H2,1-4H3
InChIKey
WRNDOFPOBRBTPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.87
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
74.21
TPSA
55.84
LogP / Solubility
WLOGP
2.59
MLOGP
2.29
XLogP3
2.3
Consensus LogP
2.39
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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