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CAS 53159-75-4 1-(4-Fluorophenyl)tetrahydro-2H-imidazol-2-one molecular structure lightbox
CAS RN: 53159-75-4

1-(4-Fluorophenyl)tetrahydro-2H-imidazol-2-one

  • Product code: SSC-160362
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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: ≥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 53159-75-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

53159-75-4 / 1-(4-fluorophenyl)imidazolidin-2-one

Standard CAS: 53159-75-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53159-75-4
Multi CAS
No
Molecular Formula
C9FH9N2O
Molecular Weight
180.180000
Exact Mass
180.069891
InChI
InChI=1S/C9H9FN2O/c10-7-1-3-8(4-2-7)12-6-5-11-9(12)13/h1-4H,5-6H2,(H,11,13)
InChIKey
CDVKZHAXXGTIDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.14
TPSA
32.34

LogP / Solubility

WLOGP
1.36
MLOGP
1.19
XLogP3
1
Consensus LogP
1.18
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately 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)
-2.86

Drug-likeness / Medicinal Chemistry

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

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