CAS RN: 664362-16-7
1-Piperidinecarboxylic acid, 3-ethynyl-, 1,1-dimethylethyl ester
- Product code: SSC-176122
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, 0.1g, 0.25g, 100g
- Available purity: >97%
- Inventory rows with stock: 12
- 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 | -- | 5 In Stock | Beijing | Inquiry |
| 5g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | -- | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 5 In Stock | Beijing | Inquiry |
| 1g | -- | 4 In Stock | Beijing | Inquiry |
| 25g | >97% | 3 In Stock | Shenzhen | Inquiry |
| 0.1g | -- | 2 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 25g | -- | 2 In Stock | Hong Kong | Inquiry |
| 100g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 100g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
664362-16-7 / tert-butyl 3-ethynylpiperidine-1-carboxylate
Basic Information
CAS
664362-16-7
Multi CAS
Yes
Molecular Formula
C12H19NO2
Molecular Weight
209.280000
Exact Mass
209.141579
InChI
InChI=1S/C12H19NO2/c1-5-10-7-6-8-13(9-10)11(14)15-12(2,3)4/h1,10H,6-9H2,2-4H3
InChIKey
IJHRDEPFBAXIMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.36
TPSA
29.54
LogP / Solubility
WLOGP
2.27
MLOGP
2
XLogP3
2
Consensus LogP
2.09
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.39
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
2
Customers Also Viewed
-
tert-butyl 3-hydroxy-2-methyl-5-oxopyrrolidine-1-carboxylate
- CAS RN: 664364-20-9
- Product Code: SSC-176126
-
tert-butyl (2S,3S)-3-hydroxy-2-methylpyrrolidine-1-carboxylate
- CAS RN: 664364-21-0
- Product Code: SSC-176127
-
3-PYRROLIDINEACETIC ACID, 1-[(1,1-DIMETHYLETHOXY)CARBONYL]-, ETHYL ESTER
- CAS RN: 664364-29-8
- Product Code: SSC-176130
-
(2S,3S)-1-[(tert-butoxy)carbonyl]-2-methylpyrrolidine-3-carboxylic acid
- CAS RN: 664364-34-5
- Product Code: SSC-176131
-
-
![CAS 664364-29-8 3-PYRROLIDINEACETIC ACID, 1-[(1,1-DIMETHYLETHOXY)CARBONYL]-, ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/664364-29-8.gif)
![CAS 664364-34-5 (2S,3S)-1-[(tert-butoxy)carbonyl]-2-methylpyrrolidine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/664364-34-5.gif)
