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CAS 77666-94-5 pyrazine-2,5-dicarbaldehyde molecular structure lightbox
CAS RN: 77666-94-5

pyrazine-2,5-dicarbaldehyde

  • Product code: SSC-187209
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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 77666-94-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

77666-94-5 / pyrazine-2,5-dicarbaldehyde

Standard CAS: 77666-94-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
77666-94-5
Multi CAS
No
Molecular Formula
C6H4N2O2
Molecular Weight
136.110000
Exact Mass
136.027277
InChI
InChI=1S/C6H4N2O2/c9-3-5-1-7-6(4-10)2-8-5/h1-4H
InChIKey
HTGODBGFEKUXOL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
32.81
TPSA
59.92

LogP / Solubility

WLOGP
0.1
MLOGP
0.08
XLogP3
-0.6
Consensus LogP
-0.14
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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