CAS RN: 117565-57-8
1-BOC-3-ETHYL-PIPERIDIN-4-ONE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250330 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250912 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20251212 | 250mg | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20251010 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250921 | 5g | In stock | Shanghai, Chengdu | Inquiry |
- Product code: starshine_CAS117565-57-8
- Purity/Analytical Methods: >99.0%
117565-57-8 / tert-butyl 3-ethyl-4-oxopiperidine-1-carboxylate
tert-Butyl 3-ethyl-4-oxopiperidine-1-carboxylate | DTXSID00624245 | RefChem:383382
Basic Information
CAS
117565-57-8
Multi CAS
Yes
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
CCC1CN(CCC1=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO3/c1-5-9-8-13(7-6-10(9)14)11(15)16-12(2,3)4/h9H,5-8H2,1-4H3
InChIKey
HGJKZGGZDSJORL-UHFFFAOYSA-N
Synonyms
tert-Butyl 3-ethyl-4-oxopiperidine-1-carboxylate
DTXSID00624245
RefChem:383382
DTXCID60574999
842-994-6
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
61.21
TPSA
46.61
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
1.5
Consensus LogP
1.89
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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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