CAS RN: 25115-69-9
2,6-Piperidinedione, 3-ethyl-
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.20250103 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS25115-69-9
- Purity/Analytical Methods: >99.0%
25115-69-9 / 3-ethylpiperidine-2,6-dione
Basic Information
CAS
25115-69-9
Multi CAS
No
Molecular Formula
C7H11NO2
Molecular Weight
141.170000
Exact Mass
141.078979
SMILES
CCC1CCC(=O)NC1=O
InChI
InChI=1S/C7H11NO2/c1-2-5-3-4-6(9)8-7(5)10/h5H,2-4H2,1H3,(H,8,9,10)
InChIKey
SZQUNAOZNFKTHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.16
TPSA
46.17
LogP / Solubility
WLOGP
0.45
MLOGP
0.39
XLogP3
0.2
Consensus LogP
0.35
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
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
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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