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CAS 459-03-0 4-Fluorophenylacetone molecular structure lightbox
CAS RN: 459-03-0

4-Fluorophenylacetone

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20260328 1g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250729 1ml In stock Inquiry
  • Product code: SSC-153489
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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: 1g, 5g, 10g, 25g
  • Available purity: ≥98%
  • 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 459-03-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry
10g ≥98% 0 Out of Stock Shenzhen Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry

459-03-0 / 1-(4-fluorophenyl)propan-2-one

Standard CAS: 459-03-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
459-03-0
Multi CAS
No
Molecular Formula
C9FH9O
Molecular Weight
152.160000
Exact Mass
152.063743
InChI
InChI=1S/C9H9FO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3
InChIKey
ZUEKIIWSVFBTCM-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless or yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
40.79
TPSA
17.07

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
1.9
Consensus LogP
1.86
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-2.26

Drug-likeness / Medicinal Chemistry

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

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