CAS RN: 1188265-31-7
tert-butyl 3-methoxy-4-oxopiperidine-1-carboxylate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251223 | 100mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260225 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20260309 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251019 | 25g | Out of stock | Inquiry | |
| Batchno.20250529 | 5g | In stock | Tianjin | Inquiry |
- Product code: starshine_CAS1188265-31-7
- Purity/Analytical Methods: >99.0%
1188265-31-7 / tert-butyl 3-methoxy-4-oxopiperidine-1-carboxylate
tert-Butyl 3-methoxy-4-oxopiperidine-1-carboxylate | DTXSID00724416 | RefChem:893396
Basic Information
CAS
1188265-31-7
Multi CAS
No
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C(C1)OC
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-5-8(13)9(7-12)15-4/h9H,5-7H2,1-4H3
InChIKey
DXHPWDBZWRHQRX-UHFFFAOYSA-N
Synonyms
tert-Butyl 3-methoxy-4-oxopiperidine-1-carboxylate
DTXSID00724416
RefChem:893396
DTXCID50675161
966-986-8
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
58.23
TPSA
55.84
LogP / Solubility
WLOGP
1.21
MLOGP
1.07
XLogP3
0.5
Consensus LogP
0.93
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-3.26
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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