CAS RN: 565459-90-7
1-(2,6-difluoro-4-nitrophenyl)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.20251117 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS565459-90-7
- Purity/Analytical Methods: >99.0%
565459-90-7 / 1-(2,6-difluoro-4-nitrophenyl)piperidin-4-one
Basic Information
CAS
565459-90-7
Multi CAS
No
Molecular Formula
C11F2H10N2O3
Molecular Weight
256.210000
Exact Mass
256.065949
InChI
InChI=1S/C11H10F2N2O3/c12-9-5-7(15(17)18)6-10(13)11(9)14-3-1-8(16)2-4-14/h5-6H,1-4H2
InChIKey
LKKUBECGUXCFGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
59.47
TPSA
63.45
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
1.5
Consensus LogP
1.78
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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