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CAS 50866-30-3 5-methylpyrazine-2-carbaldehyde molecular structure lightbox
CAS RN: 50866-30-3

5-methylpyrazine-2-carbaldehyde

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250904 1g In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250511 250mg In stock Shanghai Inquiry
Batchno.20250415 25g In stock Shanghai, Chengdu Inquiry
Batchno.20250212 5g In stock Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250503 1g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260514 250mg In stock Shandong Inquiry
  • Product code: starshine_CAS50866-30-3
  • Purity/Analytical Methods: >99.0%
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50866-30-3 / 5-methylpyrazine-2-carbaldehyde

Standard CAS: 50866-30-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50866-30-3
Multi CAS
No
Molecular Formula
C6H6N2O
Molecular Weight
122.120000
Exact Mass
122.048013
InChI
InChI=1S/C6H6N2O/c1-5-2-8-6(4-9)3-7-5/h2-4H,1H3
InChIKey
JUPFEWGPEBACJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
32.16
TPSA
42.85

LogP / Solubility

WLOGP
0.6
MLOGP
0.52
XLogP3
-0.1
Consensus LogP
0.34
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.07
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)
-3.04

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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