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CAS 23190-84-3 3-AMINO-2-QUINOXALINECARBONITRILE 1,4-DIOXIDE molecular structure lightbox
CAS RN: 23190-84-3

3-AMINO-2-QUINOXALINECARBONITRILE 1,4-DIOXIDE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260310 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS23190-84-3
  • Purity/Analytical Methods: >99.0%
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23190-84-3 / 3-amino-1,4-dioxidoquinoxaline-1,4-diium-2-carbonitrile

Standard CAS: 23190-84-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23190-84-3
Multi CAS
No
Molecular Formula
C9H6N4O2
Molecular Weight
202.170000
Exact Mass
202.049075
SMILES
C1=CC=C2C(=C1)[N+](=C(C(=[N+]2[O-])N)C#N)[O-]
InChI
InChI=1S/C9H6N4O2/c10-5-8-9(11)13(15)7-4-2-1-3-6(7)12(8)14/h1-4H,11H2
InChIKey
ZGVCESZATUMTIM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51
TPSA
103.69

LogP / Solubility

WLOGP
-0.44
MLOGP
-0.39
XLogP3
-0.5
Consensus LogP
-0.44
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.27

Drug-likeness / Medicinal Chemistry

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

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