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CAS 77168-80-0 5,6-dihydroxypyrazine-2-carboxylic acid molecular structure lightbox
CAS RN: 77168-80-0

5,6-dihydroxypyrazine-2-carboxylic acid

  • Product code: SSC-186663
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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 77168-80-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

77168-80-0 / 5,6-dioxo-1,4-dihydropyrazine-2-carboxylic acid

Standard CAS: 77168-80-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77168-80-0
Multi CAS
Yes
Molecular Formula
C5H4N2O4
Molecular Weight
156.100000
Exact Mass
156.017107
InChI
InChI=1S/C5H4N2O4/c8-3-4(9)7-2(1-6-3)5(10)11/h1H,(H,6,8)(H,7,9)(H,10,11)
InChIKey
GKJAAQNJIUKDQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
34.64
TPSA
103.02

LogP / Solubility

WLOGP
-1.24
MLOGP
-1.1
XLogP3
-1.2
Consensus LogP
-1.18
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
0.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.23
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.55

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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