CAS RN: 180307-56-6
tert-Butyl 4-vinylpiperidine-1-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251210 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-080739
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, 0.25g, 5g, 25g, 10g, 100g
- Available purity: >98%
- Inventory rows with stock: 4
- 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 | >98% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 5g | >98% | 2 In Stock | Shanghai | Inquiry |
| 25g | >98% | 1 In Stock | Beijing | Inquiry |
| 10g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
| 100g | >98% | 0 Out of Stock | Shanghai | Inquiry |
180307-56-6 / tert-butyl 4-ethenylpiperidine-1-carboxylate
Basic Information
CAS
180307-56-6
Multi CAS
No
Molecular Formula
C12H21NO2
Molecular Weight
211.300000
Exact Mass
211.157229
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C=C
InChI
InChI=1S/C12H21NO2/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4/h5,10H,1,6-9H2,2-4H3
InChIKey
LKUCYFONIRHGSQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
60.73
TPSA
29.54
LogP / Solubility
WLOGP
2.82
MLOGP
2.48
XLogP3
2.5
Consensus LogP
2.6
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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