![CAS 1018525-90-0 2-Chloro-1-[4-(4-fluoro-benzoyl)-piperazin-1-yl]-ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1018525-90-0.gif)
CAS RN: 1018525-90-0
2-Chloro-1-[4-(4-fluoro-benzoyl)-piperazin-1-yl]-ethanone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251214 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1018525-90-0
- Purity/Analytical Methods: >99.0%
1018525-90-0 / 2-chloro-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone
2-Chloro-1-[4-(4-fluoro-benzoyl)-piperazin-1-yl]-ethanone | 2-Chloro-1-(4-(4-fluorobenzoyl)piperazin-1-yl)ethanone | 2-chloro-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone
Basic Information
CAS
1018525-90-0
Multi CAS
No
Molecular Formula
C13H14ClFN2O2
Molecular Weight
284.710000
Exact Mass
284.072784
SMILES
C1CN(CCN1C(=O)CCl)C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C13H14ClFN2O2/c14-9-12(18)16-5-7-17(8-6-16)13(19)10-1-3-11(15)4-2-10/h1-4H,5-9H2
InChIKey
OFKCXYZCSHKCQA-UHFFFAOYSA-N
Synonyms
2-Chloro-1-[4-(4-fluoro-benzoyl)-piperazin-1-yl]-ethanone
2-Chloro-1-(4-(4-fluorobenzoyl)piperazin-1-yl)ethanone
2-chloro-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone
2-Chloro-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethan-1-one
DTXSID40651570
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
69.6
TPSA
40.62
LogP / Solubility
WLOGP
1.35
MLOGP
1.2
XLogP3
1.4
Consensus LogP
1.32
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-3.5
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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