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CAS 5521-60-8 5-Methyl-2,3-pyrazinedicarboxylic acid molecular structure lightbox
CAS RN: 5521-60-8

5-Methyl-2,3-pyrazinedicarboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250104 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS5521-60-8
  • Purity/Analytical Methods: >99.0%
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5521-60-8 / 5-methylpyrazine-2,3-dicarboxylic acid

Standard CAS: 5521-60-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5521-60-8
Multi CAS
Yes
Molecular Formula
C7H6N2O4
Molecular Weight
182.130000
Exact Mass
182.032757
InChI
InChI=1S/C7H6N2O4/c1-3-2-8-4(6(10)11)5(9-3)7(12)13/h2H,1H3,(H,10,11)(H,12,13)
InChIKey
ZSVGGGCOTVOOSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.69
TPSA
100.38

LogP / Solubility

WLOGP
0.18
MLOGP
0.16
XLogP3
-0.1
Consensus LogP
0.08
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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