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CAS 356783-31-8 2-Pyrazinecarbonitrile, 6-fluoro-3,4-dihydro-3-oxo- molecular structure lightbox
CAS RN: 356783-31-8

2-Pyrazinecarbonitrile, 6-fluoro-3,4-dihydro-3-oxo-

  • Product code: SSC-142722
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 356783-31-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Shanghai Inquiry
0.25g ≥97% 1 In Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

356783-31-8 / 5-fluoro-2-oxo-1H-pyrazine-3-carbonitrile

Standard CAS: 356783-31-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
356783-31-8
Multi CAS
Yes
Molecular Formula
C5FH2N3O
Molecular Weight
139.090000
Exact Mass
139.018190
InChI
InChI=1S/C5H2FN3O/c6-4-2-8-5(10)3(1-7)9-4/h2H,(H,8,10)
InChIKey
LJZHACRGZWYTAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
29.53
TPSA
69.54

LogP / Solubility

WLOGP
-0.22
MLOGP
-0.2
XLogP3
-0.3
Consensus LogP
-0.24
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
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)
-3.72

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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