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CAS 1934422-67-9 Quinoxaline, 2-chloro-8-nitro- molecular structure lightbox
CAS RN: 1934422-67-9

Quinoxaline, 2-chloro-8-nitro-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250907 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1934422-67-9
  • Purity/Analytical Methods: >99.0%
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1934422-67-9 / 2-chloro-8-nitroquinoxaline

Standard CAS: 1934422-67-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1934422-67-9
Multi CAS
No
Molecular Formula
C8H4ClN3O2
Molecular Weight
209.590000
Exact Mass
208.999204
SMILES
C1=CC2=NC=C(N=C2C(=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H4ClN3O2/c9-7-4-10-5-2-1-3-6(12(13)14)8(5)11-7/h1-4H
InChIKey
RFPLLQFUOAJFER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
51.2
TPSA
68.92

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
2
Consensus LogP
2.04
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44

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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