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CAS 582-83-2 1-(4-FLUORO-PHENYL)-BUTAN-1-ONE molecular structure lightbox
CAS RN: 582-83-2

1-(4-FLUORO-PHENYL)-BUTAN-1-ONE

  • Product code: SSC-166452
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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: 25g
  • Available purity: ≥97%
  • 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 582-83-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shanghai Inquiry

582-83-2 / 1-(4-fluorophenyl)butan-1-one

Standard CAS: 582-83-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
582-83-2
Multi CAS
Yes
Molecular Formula
C10FH11O
Molecular Weight
166.190000
Exact Mass
166.079393
InChI
InChI=1S/C10H11FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3
InChIKey
QHDXPJMOWRLLRV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
45.64
TPSA
17.07

LogP / Solubility

WLOGP
2.81
MLOGP
2.47
XLogP3
2.5
Consensus LogP
2.59
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.43
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)
-1.74

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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