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CAS 261-43-8 pyrazino[2,3-g]quinoxaline molecular structure lightbox
CAS RN: 261-43-8

pyrazino[2,3-g]quinoxaline

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251108 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS261-43-8
  • Purity/Analytical Methods: >99.0%
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261-43-8 / pyrazino[2,3-g]quinoxaline

Standard CAS: 261-43-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
261-43-8
Multi CAS
No
Molecular Formula
C10H6N4
Molecular Weight
182.180000
Exact Mass
182.059246
SMILES
C1=CN=C2C=C3C(=CC2=N1)N=CC=N3
InChI
InChI=1S/C10H6N4/c1-2-12-8-6-10-9(5-7(8)11-1)13-3-4-14-10/h1-6H
InChIKey
RAHGMXOHVFGEDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
14
H-bond acceptors
4
Molar refractivity
52.63
TPSA
51.56

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
0.1
Consensus LogP
1.02
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

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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