CAS RN: 1342825-61-9
1-(3,3,3-Trifluoropropyl)piperidin-4-one
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.20250801 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1342825-61-9
- Purity/Analytical Methods: >99.0%
1342825-61-9 / 1-(3,3,3-trifluoropropyl)piperidin-4-one
Basic Information
CAS
1342825-61-9
Multi CAS
No
Molecular Formula
C8H12F3NO
Molecular Weight
195.180000
Exact Mass
195.087098
SMILES
C1CN(CCC1=O)CCC(F)(F)F
InChI
InChI=1S/C8H12F3NO/c9-8(10,11)3-6-12-4-1-7(13)2-5-12/h1-6H2
InChIKey
MKXWSKFPCLYBLJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
41.35
TPSA
20.31
LogP / Solubility
WLOGP
1.6
MLOGP
1.41
XLogP3
1.2
Consensus LogP
1.4
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately 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)
-2.77
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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