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CAS 59396-50-8 4-fluoro-3-methylphenyl 4-fluorophenyl ketone molecular structure lightbox
CAS RN: 59396-50-8

4-fluoro-3-methylphenyl 4-fluorophenyl ketone

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250812 100mg / 250mg / 500mg / 1g / 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS59396-50-8
  • Purity/Analytical Methods: >99.0%
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59396-50-8 / (4-fluoro-3-methylphenyl)-(4-fluorophenyl)methanone

Standard CAS: 59396-50-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59396-50-8
Multi CAS
Yes
Molecular Formula
C14F2H10O
Molecular Weight
232.220000
Exact Mass
232.069971
InChI
InChI=1S/C14H10F2O/c1-9-8-11(4-7-13(9)16)14(17)10-2-5-12(15)6-3-10/h2-8H,1H3
InChIKey
OLLWPGBBYZXGIB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
60.97
TPSA
17.07

LogP / Solubility

WLOGP
3.5
MLOGP
3.09
XLogP3
3.8
Consensus LogP
3.46
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65

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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