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CAS 503176-43-0 1-(PYRAZIN-2-YL)-1H-PYRAZOLE-4-CARBALDEHYDE molecular structure lightbox
CAS RN: 503176-43-0

1-(PYRAZIN-2-YL)-1H-PYRAZOLE-4-CARBALDEHYDE

  • Product code: SSC-156776
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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 503176-43-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

503176-43-0 / 1-pyrazin-2-ylimidazole-4-carbaldehyde

Standard CAS: 503176-43-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
503176-43-0
Multi CAS
Yes
Molecular Formula
C8H6N4O
Molecular Weight
174.160000
Exact Mass
174.054161
InChI
InChI=1S/C8H6N4O/c13-6-7-3-11-12(5-7)8-4-9-1-2-10-8/h1-6H
InChIKey
NNNVETIORKXOFC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
44.54
TPSA
60.67

LogP / Solubility

WLOGP
0.47
MLOGP
0.41
XLogP3
-0.3
Consensus LogP
0.19
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
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)
-3.45

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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