CAS RN: 18514-76-6
5-NITROQUINOXALINE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250118 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS18514-76-6
- Purity/Analytical Methods: >99.0%
18514-76-6 / 5-nitroquinoxaline
Basic Information
CAS
18514-76-6
Multi CAS
No
Molecular Formula
C8H5N3O2
Molecular Weight
175.140000
Exact Mass
175.038176
SMILES
C1=CC2=NC=CN=C2C(=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H5N3O2/c12-11(13)7-3-1-2-6-8(7)10-5-4-9-6/h1-5H
InChIKey
WZBOWHSZOCPDMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
46.19
TPSA
68.92
LogP / Solubility
WLOGP
1.54
MLOGP
1.35
XLogP3
1
Consensus LogP
1.3
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-2.7
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
