![CAS 1268520-72-4 5-tert-butyl 7-ethyl 5-azaspiro[2.4]heptane-5,7-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1268520-72-4.gif)
CAS RN: 1268520-72-4
5-tert-butyl 7-ethyl 5-azaspiro[2.4]heptane-5,7-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.20250531 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-034102
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1268520-72-4 / 5-O-tert-butyl 7-O-ethyl 5-azaspiro[2.4]heptane-5,7-dicarboxylate
Basic Information
CAS
1268520-72-4
Multi CAS
No
Molecular Formula
C14H23NO4
Molecular Weight
269.340000
Exact Mass
269.162708
SMILES
CCOC(=O)C1CN(CC12CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H23NO4/c1-5-18-11(16)10-8-15(9-14(10)6-7-14)12(17)19-13(2,3)4/h10H,5-9H2,1-4H3
InChIKey
DIJIJACGUYWBJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
69.6
TPSA
55.84
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
1.7
Consensus LogP
1.95
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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