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CAS 88675-31-4 2-BROMO-2-PHENYL-1-(γ-FLUOROPHENYL)-ETHANONE molecular structure lightbox
CAS RN: 88675-31-4

2-BROMO-2-PHENYL-1-(γ-FLUOROPHENYL)-ETHANONE

  • Product code: SSC-200112
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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: 5g
  • 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 88675-31-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Beijing Inquiry

88675-31-4 / 2-bromo-1-(4-fluorophenyl)-2-phenylethanone

Standard CAS: 88675-31-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88675-31-4
Multi CAS
Yes
Molecular Formula
BC14H10ORf
Molecular Weight
293.130000
Exact Mass
291.989910
InChI
InChI=1S/C14H10BrFO/c15-13(10-4-2-1-3-5-10)14(17)11-6-8-12(16)9-7-11/h1-9,13H
InChIKey
DYTDDALWSRMTDA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
68.84
TPSA
17.07

LogP / Solubility

WLOGP
4.14
MLOGP
3.66
XLogP3
4.2
Consensus LogP
4
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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