CAS RN: 127093-82-7
2-Piperidinone,6-ethenyl-(9CI)
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.20260325 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS127093-82-7
- Purity/Analytical Methods: >99.0%
127093-82-7 / 6-ethenylpiperidin-2-one
Basic Information
CAS
127093-82-7
Multi CAS
No
Molecular Formula
C7H11NO
Molecular Weight
125.170000
Exact Mass
125.084064
SMILES
C=CC1CCCC(=O)N1
InChI
InChI=1S/C7H11NO/c1-2-6-4-3-5-7(9)8-6/h2,6H,1,3-5H2,(H,8,9)
InChIKey
PHTBAFVXOHHDBZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.98
TPSA
29.1
LogP / Solubility
WLOGP
0.84
MLOGP
0.73
XLogP3
0.6
Consensus LogP
0.72
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-2.89
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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