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CAS 1197237-82-3 6-METHOXYPYRAZINE-2-CARBALDEHYDE molecular structure lightbox
CAS RN: 1197237-82-3

6-METHOXYPYRAZINE-2-CARBALDEHYDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250911 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1197237-82-3
  • Purity/Analytical Methods: >99.0%
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1197237-82-3 / 6-methoxypyrazine-2-carbaldehyde

6-METHOXYPYRAZINE-2-CARBALDEHYDE | 2-METHOXYPYRAZINE-6-CARBOXALDEHYDE | SCHEMBL27858688

Standard CAS: 1197237-82-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1197237-82-3
Multi CAS
No
Molecular Formula
C6H6N2O2
Molecular Weight
138.120000
Exact Mass
138.042927
SMILES
COC1=NC(=CN=C1)C=O
InChI
InChI=1S/C6H6N2O2/c1-10-6-3-7-2-5(4-9)8-6/h2-4H,1H3
InChIKey
AYUSKKGFPFDNAS-UHFFFAOYSA-N
Synonyms
6-METHOXYPYRAZINE-2-CARBALDEHYDE 2-METHOXYPYRAZINE-6-CARBOXALDEHYDE SCHEMBL27858688 SCHEMBL29958270 AB73162

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
33.97
TPSA
52.08

LogP / Solubility

WLOGP
0.3
MLOGP
0.25
XLogP3
0.5
Consensus LogP
0.35
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.04
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)
-3.35

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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