CAS RN: 2212021-56-0
(2S)-tert-Butyl 3-cyano-2-methyl-4-oxopiperidine-1-carboxylate
- Product code: SSC-106436
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
- Available purity: >97%
- Inventory rows with stock: 10
- 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 | -- | 5 In Stock | Shanghai | Inquiry |
| 1g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | -- | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 5 In Stock | Shanghai | Inquiry |
| 10g | -- | 5 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 25g | -- | 4 In Stock | Shanghai | Inquiry |
| 25g | >97% | 4 In Stock | Shanghai | Inquiry |
| 100g | -- | 1 In Stock | Beijing | Inquiry |
| 100g | >97% | 1 In Stock | Shanghai | Inquiry |
2212021-56-0 / tert-butyl (2S)-3-cyano-2-methyl-4-oxopiperidine-1-carboxylate
Basic Information
CAS
2212021-56-0
Multi CAS
No
Molecular Formula
C12H18N2O3
Molecular Weight
238.280000
Exact Mass
238.131742
SMILES
C[C@H]1C(C(=O)CCN1C(=O)OC(C)(C)C)C#N
InChI
InChI=1S/C12H18N2O3/c1-8-9(7-13)10(15)5-6-14(8)11(16)17-12(2,3)4/h8-9H,5-6H2,1-4H3/t8-,9?/m0/s1
InChIKey
HWSFSGRTZMJYGQ-IENPIDJESA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
61.13
TPSA
70.4
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
1
Consensus LogP
1.41
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 2214207-74-4 (2R,2’R,3R,3’R)-3,3′-di-tert-butyl-2,2′-dimethyl-2,2′,3,3′-tetrahydro-4,4′-bibenzo[d][1,3]oxaphosphole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2214207-74-4.gif)