CAS RN: 85606-96-8
3-(4-FLUORO-PHENYL)-PIPERAZIN-2-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.20250614 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS85606-96-8
- Purity/Analytical Methods: >99.0%
85606-96-8 / 3-(4-fluorophenyl)piperazin-2-one
Basic Information
CAS
85606-96-8
Multi CAS
No
Molecular Formula
C10FH11N2O
Molecular Weight
194.210000
Exact Mass
194.085541
InChI
InChI=1S/C10H11FN2O/c11-8-3-1-7(2-4-8)9-10(14)13-6-5-12-9/h1-4,9,12H,5-6H2,(H,13,14)
InChIKey
WAKCIILEYAIXOR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
50.15
TPSA
41.13
LogP / Solubility
WLOGP
0.59
MLOGP
0.52
XLogP3
0.7
Consensus LogP
0.6
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-3.49
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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