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CAS 107028-32-0 4′-BROMO-2-(4-FLUOROPHENYL)ACETOPHENONE molecular structure lightbox
CAS RN: 107028-32-0

4′-BROMO-2-(4-FLUOROPHENYL)ACETOPHENONE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260210 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS107028-32-0
  • Purity/Analytical Methods: >99.0%
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107028-32-0 / 1-(4-bromophenyl)-2-(4-fluorophenyl)ethanone

4'-BROMO-2-(4-FLUOROPHENYL)ACETOPHENONE | 1-(4-Bromophenyl)-2-(4-fluorophenyl)ethanone | MFCD02260764

Standard CAS: 107028-32-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107028-32-0
Multi CAS
No
Molecular Formula
C14H10BrFO
Molecular Weight
293.130000
Exact Mass
291.989910
SMILES
C1=CC(=CC=C1CC(=O)C2=CC=C(C=C2)Br)F
InChI
InChI=1S/C14H10BrFO/c15-12-5-3-11(4-6-12)14(17)9-10-1-7-13(16)8-2-10/h1-8H,9H2
InChIKey
ACHOHVUUDBKYMX-UHFFFAOYSA-N
Synonyms
4'-BROMO-2-(4-FLUOROPHENYL)ACETOPHENONE 1-(4-Bromophenyl)-2-(4-fluorophenyl)ethanone MFCD02260764 4/'-Bromo-2-(4-fluorophenyl)acetophenone 1-(4-Bromophenyl)-2-(4-fluorophenyl)ethan-1-one

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
68.58
TPSA
17.07

LogP / Solubility

WLOGP
4.01
MLOGP
3.54
XLogP3
4
Consensus LogP
3.85
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
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)
-1.66

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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