CAS RN: 396731-40-1
3,5-Dioxo-piperidine-1-carboxylicacidtert-butylester
- Product code: SSC-147385
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, 10g, 25g, 100g, 500g
- Available purity: >97%
- Inventory rows with stock: 1
- 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 | Shenzhen | Inquiry |
| 5g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 500g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
396731-40-1 / tert-butyl 3,5-dioxopiperidine-1-carboxylate
Basic Information
CAS
396731-40-1
Multi CAS
Yes
Molecular Formula
C10H15NO4
Molecular Weight
213.230000
Exact Mass
213.100108
InChI
InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-5-7(12)4-8(13)6-11/h4-6H2,1-3H3
InChIKey
KWNDKZADLGFSKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.7
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
52.44
TPSA
63.68
LogP / Solubility
WLOGP
0.77
MLOGP
0.68
XLogP3
0.7
Consensus LogP
0.72
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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