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CAS 7542-64-5 ALPHA,ALPHA-DIBROMO-4-FLUOROACETOPHENONE molecular structure lightbox
CAS RN: 7542-64-5

ALPHA,ALPHA-DIBROMO-4-FLUOROACETOPHENONE

  • Product code: SSC-184878
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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
  • 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 7542-64-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

7542-64-5 / 2,2-dibromo-1-(4-fluorophenyl)ethanone

Standard CAS: 7542-64-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7542-64-5
Multi CAS
No
Molecular Formula
C8H5BR2FO
Molecular Weight
295.930000
Exact Mass
295.867070
InChI
InChI=1S/C8H5Br2FO/c9-8(10)7(12)5-1-3-6(11)4-2-5/h1-4,8H
InChIKey
XFFGHBAVJPOWDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
52.37
TPSA
17.07

LogP / Solubility

WLOGP
3.12
MLOGP
2.76
XLogP3
3.4
Consensus LogP
3.09
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly 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)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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