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CAS 484049-04-9 5-(3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)imidazolidine-2,4-dione molecular structure lightbox
CAS RN: 484049-04-9

5-(3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)imidazolidine-2,4-dione

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7 package records7 with current stock2 grade groups
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Batchno.20250616 10mg In stock Inquiry
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  • Product code: starshine_CAS484049-04-9
  • Purity/Analytical Methods: >99.0%
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484049-04-9 / 5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]imidazolidine-2,4-dione

Standard CAS: 484049-04-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
484049-04-9
Multi CAS
Yes
Molecular Formula
C18FH13N4O2
Molecular Weight
336.300000
Exact Mass
336.102254
InChI
InChI=1S/C18H13FN4O2/c19-12-8-6-11(7-9-12)15-14(16-17(24)21-18(25)20-16)10-23(22-15)13-4-2-1-3-5-13/h1-10,16H,(H2,20,21,24,25)
InChIKey
MPQWYPLPWGUMJE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
88.37
TPSA
76.02

LogP / Solubility

WLOGP
2.56
MLOGP
2.27
XLogP3
2.4
Consensus LogP
2.41
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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