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CAS 304445-49-6 3-FLUORO-4-BROMO-ACETOPHENONE molecular structure lightbox
CAS RN: 304445-49-6

3-FLUORO-4-BROMO-ACETOPHENONE

  • Product code: SSC-134890
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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 304445-49-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

304445-49-6 / 1-(4-bromo-3-fluorophenyl)ethanone

Standard CAS: 304445-49-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
304445-49-6
Multi CAS
Yes
Molecular Formula
BC8H6ORf
Molecular Weight
217.030000
Exact Mass
215.958610
InChI
InChI=1S/C8H6BrFO/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
InChIKey
VCTWSAITPPCBHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
44.1
TPSA
17.07

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
2.4
Consensus LogP
2.55
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.06

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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