CAS RN: 1269293-86-8
1-(pyrazin-2-yl)-1H-pyrazole-5-carbaldehyde
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250807 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1269293-86-8
- Purity/Analytical Methods: >99.0%
1269293-86-8 / 2-pyrazin-2-ylpyrazole-3-carbaldehyde
Basic Information
CAS
1269293-86-8
Multi CAS
No
Molecular Formula
C8H6N4O
Molecular Weight
174.160000
Exact Mass
174.054161
SMILES
C1=CN=C(C=N1)N2C(=CC=N2)C=O
InChI
InChI=1S/C8H6N4O/c13-6-7-1-2-11-12(7)8-5-9-3-4-10-8/h1-6H
InChIKey
AURYQHXOYKYXSO-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
-0.1
Consensus LogP
0.26
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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