CAS RN: 20845-29-8
Methyl 1-methyl-2-oxo-4-piperidinecarboxylate
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.20260410 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS20845-29-8
- Purity/Analytical Methods: >99.0%
20845-29-8 / methyl 1-methyl-2-oxopiperidine-4-carboxylate
Basic Information
CAS
20845-29-8
Multi CAS
No
Molecular Formula
C8H13NO3
Molecular Weight
171.190000
Exact Mass
171.089543
SMILES
CN1CCC(CC1=O)C(=O)OC
InChI
InChI=1S/C8H13NO3/c1-9-4-3-6(5-7(9)10)8(11)12-2/h6H,3-5H2,1-2H3
InChIKey
ZIGPNSLHHPMBKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.38
TPSA
46.61
LogP / Solubility
WLOGP
0.03
MLOGP
0.02
XLogP3
-0.4
Consensus LogP
-0.12
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.92
Class (SILICOS-IT)
Very 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)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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