CAS RN: 30727-21-0
Ethyl 2,3-dioxopiperidine-4-carboxylate
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.20250209 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS30727-21-0
- Purity/Analytical Methods: >99.0%
30727-21-0 / ethyl 2,3-dioxopiperidine-4-carboxylate
Basic Information
CAS
30727-21-0
Multi CAS
Yes
Molecular Formula
C8H11NO4
Molecular Weight
185.180000
Exact Mass
185.068808
InChI
InChI=1S/C8H11NO4/c1-2-13-8(12)5-3-4-9-7(11)6(5)10/h5H,2-4H2,1H3,(H,9,11)
InChIKey
UYMPBTFWKORAQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
42.76
TPSA
72.47
LogP / Solubility
WLOGP
-0.75
MLOGP
-0.66
Consensus LogP
-0.47
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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