CAS RN: 98977-34-5
Ethyl 1-tert-Butoxycarbonyl-4-oxo-3-piperidinecarboxylate
Product Availability
Choose a grade to view its available package options.
8 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250807 | 100g | Out of stock | Inquiry | |
| Batchno.20251001 | 10g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20260618 | 1g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
| Batchno.20250301 | 1kg | Out of stock | Inquiry | |
| Batchno.20250804 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250115 | 25g | In stock | Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250411 | 500g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251220 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: ICTE0983
- Purity/Analytical Methods: >97.0%(HPLC)(N)
98977-34-5 / 1-O-tert-butyl 3-O-ethyl 4-oxopiperidine-1,3-dicarboxylate
Basic Information
CAS
98977-34-5
Multi CAS
Yes
Molecular Formula
C13H21NO5
Molecular Weight
271.310000
Exact Mass
271.141973
InChI
InChI=1S/C13H21NO5/c1-5-18-11(16)9-8-14(7-6-10(9)15)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3
InChIKey
ABBVAMUCDQETDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
67.55
TPSA
72.91
LogP / Solubility
WLOGP
1.38
MLOGP
1.22
XLogP3
1.1
Consensus LogP
1.23
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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