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CAS 32065-66-0 2-(dimethoxymethyl)quinoxaline 1,4-dioxide molecular structure lightbox
CAS RN: 32065-66-0

2-(dimethoxymethyl)quinoxaline 1,4-dioxide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250805 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS32065-66-0
  • Purity/Analytical Methods: >99.0%
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32065-66-0 / 3-(dimethoxymethyl)-4-oxidoquinoxalin-1-ium 1-oxide

Standard CAS: 32065-66-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
32065-66-0
Multi CAS
No
Molecular Formula
C11H12N2O4
Molecular Weight
236.220000
Exact Mass
236.079707
InChI
InChI=1S/C11H12N2O4/c1-16-11(17-2)10-7-12(14)8-5-3-4-6-9(8)13(10)15/h3-7,11H,1-2H3
InChIKey
BWTLITYWRKJWIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
60.83
TPSA
69.42

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
-0.5
Consensus LogP
0.58
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately 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)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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