CAS RN: 94363-58-3
2-Piperidinone, 1-(trifluoroacetyl)- (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.20260622 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS94363-58-3
- Purity/Analytical Methods: >99.0%
94363-58-3 / 1-(2,2,2-trifluoroacetyl)piperidin-2-one
Basic Information
CAS
94363-58-3
Multi CAS
No
Molecular Formula
C7F3H8NO2
Molecular Weight
195.140000
Exact Mass
195.050713
InChI
InChI=1S/C7H8F3NO2/c8-7(9,10)6(13)11-4-2-1-3-5(11)12/h1-4H2
InChIKey
GEPLDFXBBIXQLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.71
H-bond acceptors
2
Molar refractivity
36.63
TPSA
37.38
LogP / Solubility
WLOGP
1.09
MLOGP
0.96
XLogP3
1
Consensus LogP
1.02
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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