![CAS 516447-52-2 1-[1-(4-FLUORO-PHENYL)-ETHYL]-PIPERAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/516447-52-2.gif)
CAS RN: 516447-52-2
1-[1-(4-FLUORO-PHENYL)-ETHYL]-PIPERAZINE
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.20250508 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS516447-52-2
- Purity/Analytical Methods: >99.0%
516447-52-2 / 1-[1-(4-fluorophenyl)ethyl]piperazine
Basic Information
CAS
516447-52-2
Multi CAS
No
Molecular Formula
C12FH17N2
Molecular Weight
208.270000
Exact Mass
208.137577
InChI
InChI=1S/C12H17FN2/c1-10(15-8-6-14-7-9-15)11-2-4-12(13)5-3-11/h2-5,10,14H,6-9H2,1H3
InChIKey
PEOPJIYWTHRKKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.26
TPSA
15.27
LogP / Solubility
WLOGP
1.79
MLOGP
1.58
XLogP3
1.6
Consensus LogP
1.66
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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