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CAS 446-29-7 4′-Fluoro-2′-methyacetophenone molecular structure lightbox
CAS RN: 446-29-7

4′-Fluoro-2′-methyacetophenone

  • Product code: SSC-152628
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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: 10g
  • 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 446-29-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry

446-29-7 / 1-(4-fluoro-2-methylphenyl)ethanone

Standard CAS: 446-29-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
446-29-7
Multi CAS
No
Molecular Formula
C9FH9O
Molecular Weight
152.160000
Exact Mass
152.063743
InChI
InChI=1S/C9H9FO/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5H,1-2H3
InChIKey
GCTZPACJEUDZAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
41.14
TPSA
17.07

LogP / Solubility

WLOGP
2.34
MLOGP
2.05
XLogP3
2.1
Consensus LogP
2.16
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-1.99

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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