![CAS 1822453-48-4 2-(tert-butyl) 3-ethyl 2,8-diazaspiro[4.5]decane-2,3-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1822453-48-4.gif)
CAS RN: 1822453-48-4
2-(tert-butyl) 3-ethyl 2,8-diazaspiro[4.5]decane-2,3-dicarboxylate
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.20250426 | 200mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-083256
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 |
1822453-48-4 / 2-O-tert-butyl 3-O-ethyl 2,8-diazaspiro[4.5]decane-2,3-dicarboxylate
Basic Information
CAS
1822453-48-4
Multi CAS
No
Molecular Formula
C16H28N2O4
Molecular Weight
312.400000
Exact Mass
312.204907
SMILES
CCOC(=O)C1CC2(CCNCC2)CN1C(=O)OC(C)(C)C
InChI
InChI=1S/C16H28N2O4/c1-5-21-13(19)12-10-16(6-8-17-9-7-16)11-18(12)14(20)22-15(2,3)4/h12,17H,5-11H2,1-4H3
InChIKey
UIMVZWPYWOZZGY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
82.51
TPSA
67.87
LogP / Solubility
WLOGP
1.93
MLOGP
1.71
XLogP3
1.7
Consensus LogP
1.78
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-3.26
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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![CAS 1822505-03-2 Tert-Butyl 4-Hydroxy-1-Oxa-7-Azaspiro[4.4]Nonane-7-Carboxylate(WX101854) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1822505-03-2.gif)
