CAS RN: 163210-43-3
4-Allyloxy-piperidine-1-carboxylic acid tert-butyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260302 | 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS163210-43-3
- Purity/Analytical Methods: >99.0%
163210-43-3 / tert-butyl 4-prop-2-enoxypiperidine-1-carboxylate
Basic Information
CAS
163210-43-3
Multi CAS
No
Molecular Formula
C13H23NO3
Molecular Weight
241.330000
Exact Mass
241.167794
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OCC=C
InChI
InChI=1S/C13H23NO3/c1-5-10-16-11-6-8-14(9-7-11)12(15)17-13(2,3)4/h5,11H,1,6-10H2,2-4H3
InChIKey
WVZUBRRBXSQEPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.77
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
66.98
TPSA
38.77
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
2.2
Consensus LogP
2.36
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-2.35
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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