CAS RN: 1417793-01-1
5-Oxo-piperidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-ethyl ester
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.20250223 | 100mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-052463
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 |
1417793-01-1 / 1-O-tert-butyl 2-O-ethyl 5-oxopiperidine-1,2-dicarboxylate
Basic Information
CAS
1417793-01-1
Multi CAS
No
Molecular Formula
C13H21NO5
Molecular Weight
271.310000
Exact Mass
271.141973
SMILES
CCOC(=O)C1CCC(=O)CN1C(=O)OC(C)(C)C
InChI
InChI=1S/C13H21NO5/c1-5-18-11(16)10-7-6-9(15)8-14(10)12(17)19-13(2,3)4/h10H,5-8H2,1-4H3
InChIKey
RMDHGBVAOBPLIY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
67.6
TPSA
72.91
LogP / Solubility
WLOGP
1.52
MLOGP
1.34
XLogP3
1.3
Consensus LogP
1.39
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately 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)
-3.3
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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