CAS RN: 53611-44-2
6-ethyl-2-Piperidinone
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.20260613 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS53611-44-2
- Purity/Analytical Methods: >99.0%
53611-44-2 / 6-ethylpiperidin-2-one
Basic Information
CAS
53611-44-2
Multi CAS
Yes
Molecular Formula
C7H13NO
Molecular Weight
127.180000
Exact Mass
127.099714
InChI
InChI=1S/C7H13NO/c1-2-6-4-3-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9)
InChIKey
PAHMYIHLZQRVHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.07
TPSA
29.1
LogP / Solubility
WLOGP
1.07
MLOGP
0.93
XLogP3
0.9
Consensus LogP
0.97
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-2.74
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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