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CAS 19506-17-3 5-Methoxyquinoxaline molecular structure lightbox
CAS RN: 19506-17-3

5-Methoxyquinoxaline

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251117 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS19506-17-3
  • Purity/Analytical Methods: >99.0%
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19506-17-3 / 5-methoxyquinoxaline

Standard CAS: 19506-17-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19506-17-3
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
SMILES
COC1=CC=CC2=NC=CN=C21
InChI
InChI=1S/C9H8N2O/c1-12-8-4-2-3-7-9(8)11-6-5-10-7/h2-6H,1H3
InChIKey
ZPWMPGZCEXPDAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.09
TPSA
35.01

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.1
Consensus LogP
1.39
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-2.53

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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