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CAS 33870-92-7 2(1H)-Pyrazinone, 5-fluoro- molecular structure lightbox
CAS RN: 33870-92-7

2(1H)-Pyrazinone, 5-fluoro-

  • Product code: SSC-140031
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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 33870-92-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

33870-92-7 / 5-fluoro-1H-pyrazin-2-one

Standard CAS: 33870-92-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33870-92-7
Multi CAS
No
Molecular Formula
C4FH3N2O
Molecular Weight
114.080000
Exact Mass
114.022941
InChI
InChI=1S/C4H3FN2O/c5-3-1-7-4(8)2-6-3/h1-2H,(H,7,8)
InChIKey
FQODCEGFPWHSGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
24.82
TPSA
45.75

LogP / Solubility

WLOGP
-0.09
MLOGP
-0.09
XLogP3
-0.4
Consensus LogP
-0.19
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.33
Class (SILICOS-IT)
Very 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)
-3.48

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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