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CAS 329-78-2 1-(4-Chlorophenyl)-2-fluoroethanone molecular structure lightbox
CAS RN: 329-78-2

1-(4-Chlorophenyl)-2-fluoroethanone

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260526 100mg In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260630 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250907 250mg In stock Chengdu Inquiry
  • Product code: SSC-138678
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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 329-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

329-78-2 / 1-(4-chlorophenyl)-2-fluoroethanone

Standard CAS: 329-78-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
329-78-2
Multi CAS
No
Molecular Formula
C8H6CLFO
Molecular Weight
172.580000
Exact Mass
172.009121
InChI
InChI=1S/C8H6ClFO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2
InChIKey
PYJRFTYRPATKFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
41.76
TPSA
17.07

LogP / Solubility

WLOGP
2.49
MLOGP
2.19
XLogP3
2.7
Consensus LogP
2.46
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2

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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