CAS RN: 1313498-26-8
1-tert-butyl 4-ethyl 2-oxopiperidine-1,4-dicarboxylate
- Product code: SSC-038154
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: 1g, 5g, 25g, 0.1g, 0.25g, 10g, 100g
- Available purity: ≥97%
- Inventory rows with stock: 6
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 25g | ≥97% | 3 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥97% | 2 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
1313498-26-8 / 1-O-tert-butyl 4-O-ethyl 2-oxopiperidine-1,4-dicarboxylate
Basic Information
CAS
1313498-26-8
Multi CAS
No
Molecular Formula
C13H21NO5
Molecular Weight
271.310000
Exact Mass
271.141973
SMILES
CCOC(=O)C1CCN(C(=O)C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H21NO5/c1-5-18-11(16)9-6-7-14(10(15)8-9)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3
InChIKey
VLECXBXMFQBFQS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
67.3
TPSA
72.91
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
1.2
Consensus LogP
1.48
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
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)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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