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CAS 1227597-80-9 4-broMo-6-fluoro-2(1H)-pyridinone molecular structure lightbox
CAS RN: 1227597-80-9

4-broMo-6-fluoro-2(1H)-pyridinone

  • Product code: SSC-026162
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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: 0.25g
  • 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 1227597-80-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1227597-80-9 / 4-bromo-6-fluoro-1H-pyridin-2-one

Standard CAS: 1227597-80-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227597-80-9
Multi CAS
No
Molecular Formula
C5H3BrFNO
Molecular Weight
191.990000
Exact Mass
190.938200
SMILES
C1=C(C=C(NC1=O)F)Br
InChI
InChI=1S/C5H3BrFNO/c6-3-1-4(7)8-5(9)2-3/h1-2H,(H,8,9)
InChIKey
LLBFAIUAWMBQGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.72
TPSA
32.86

LogP / Solubility

WLOGP
1.28
MLOGP
1.12
XLogP3
0.9
Consensus LogP
1.1
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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