![CAS 330601-48-4 2-CHLORO-1-[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/330601-48-4.gif)
CAS RN: 330601-48-4
2-CHLORO-1-[4-(4-FLUORO-PHENYL)-PIPERAZIN-1-YL]-ETHANONE
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.20251211 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS330601-48-4
- Purity/Analytical Methods: >99.0%
330601-48-4 / 2-chloro-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
Basic Information
CAS
330601-48-4
Multi CAS
No
Molecular Formula
C12H14CLFN2O
Molecular Weight
256.700000
Exact Mass
256.077869
InChI
InChI=1S/C12H14ClFN2O/c13-9-12(17)16-7-5-15(6-8-16)11-3-1-10(14)2-4-11/h1-4H,5-9H2
InChIKey
KOSFWARHNRKNOW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
65.91
TPSA
23.55
LogP / Solubility
WLOGP
1.71
MLOGP
1.51
XLogP3
2
Consensus LogP
1.74
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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