![CAS 923170-91-6 1-[4-[4-(CHLOROACETYL)PIPERAZIN-1-YL]-3-FLUOROPHENYL]ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1757251.gif)
CAS RN: 923170-91-6
1-[4-[4-(CHLOROACETYL)PIPERAZIN-1-YL]-3-FLUOROPHENYL]ETHANONE
- Product code: SSC-205915
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
923170-91-6 / 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-chloroethanone
Basic Information
CAS
923170-91-6
Multi CAS
No
Molecular Formula
C14H16CLFN2O2
Molecular Weight
298.740000
Exact Mass
298.088434
InChI
InChI=1S/C14H16ClFN2O2/c1-10(19)11-2-3-13(12(16)8-11)17-4-6-18(7-5-17)14(20)9-15/h2-3,8H,4-7,9H2,1H3
InChIKey
ICADSZGSHLWDTL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
75.92
TPSA
40.62
LogP / Solubility
WLOGP
1.92
MLOGP
1.7
XLogP3
1.7
Consensus LogP
1.77
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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