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CAS 189763-57-3 1-(3-FLUORO-4-PIPERAZIN-1-YLPHENYL)ETHANONE molecular structure lightbox
CAS RN: 189763-57-3

1-(3-FLUORO-4-PIPERAZIN-1-YLPHENYL)ETHANONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251210 5g Out of stock 15 business days Inquiry
  • Product code: SSC-088876
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 189763-57-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

189763-57-3 / 1-(3-fluoro-4-piperazin-1-ylphenyl)ethanone

Standard CAS: 189763-57-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
189763-57-3
Multi CAS
No
Molecular Formula
C12H15FN2O
Molecular Weight
222.260000
Exact Mass
222.116841
SMILES
CC(=O)C1=CC(=C(C=C1)N2CCNCC2)F
InChI
InChI=1S/C12H15FN2O/c1-9(16)10-2-3-12(11(13)8-10)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3
InChIKey
MJBNVFIETIHRNU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.49
TPSA
32.34

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
1.2
Consensus LogP
1.3
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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