![CAS 960201-86-9 1-Piperidinecarboxylic acid, 4-[3-(dimethylamino)-1-oxo-2-propen-1-yl]-, 1,1-dim molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/960201-86-9.gif)
CAS RN: 960201-86-9
1-Piperidinecarboxylic acid, 4-[3-(dimethylamino)-1-oxo-2-propen-1-yl]-, 1,1-dim
- Product code: SSC-211828
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, 5g, 10g, 25g, 100g
- Available purity: ≥95%
- Inventory rows with stock: 7
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 100g | ≥95% | 5 In Stock | Shanghai | Inquiry |
960201-86-9 / tert-butyl 4-[(E)-3-(dimethylamino)prop-2-enoyl]piperidine-1-carboxylate
Basic Information
CAS
960201-86-9
Multi CAS
Yes
Molecular Formula
C15H26N2O3
Molecular Weight
282.380000
Exact Mass
282.194343
InChI
InChI=1S/C15H26N2O3/c1-15(2,3)20-14(19)17-10-6-12(7-11-17)13(18)8-9-16(4)5/h8-9,12H,6-7,10-11H2,1-5H3/b9-8+
InChIKey
NWAKHTZENIYBGL-CMDGGOBGSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.73
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
78.37
TPSA
49.85
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
1.7
Consensus LogP
2
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
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)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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