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CAS 356783-27-2 methyl 6-fluoro-3-hydroxypyrazine-2-carboxylate molecular structure lightbox
CAS RN: 356783-27-2

methyl 6-fluoro-3-hydroxypyrazine-2-carboxylate

  • Product code: SSC-142719
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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 356783-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

356783-27-2 / methyl 5-fluoro-2-oxo-1H-pyrazine-3-carboxylate

Standard CAS: 356783-27-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
356783-27-2
Multi CAS
No
Molecular Formula
C6FH5N2O3
Molecular Weight
172.110000
Exact Mass
172.028420
InChI
InChI=1S/C6H5FN2O3/c1-12-6(11)4-5(10)8-2-3(7)9-4/h2H,1H3,(H,8,10)
InChIKey
UWAQOOMADZVENS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.16
TPSA
72.05

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.27
XLogP3
-0.1
Consensus LogP
-0.22
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
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)
-3.99

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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