CAS RN: 115581-86-7
2,3-dihydroxy-6-chloro-7-nitroquinoxaline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250131 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS115581-86-7
- Purity/Analytical Methods: >99.0%
115581-86-7 / 6-chloro-7-nitro-1,4-dihydroquinoxaline-2,3-dione
6-chloro-7-nitro-1,4-dihydroquinoxaline-2,3-dione | 6-Chloro-7-nitro-quinoxaline-2,3-diol | MFCD19981425
Basic Information
CAS
115581-86-7
Multi CAS
No
Molecular Formula
C8H4ClN3O4
Molecular Weight
241.590000
Exact Mass
240.989033
SMILES
C1=C2C(=CC(=C1[N+](=O)[O-])Cl)NC(=O)C(=O)N2
InChI
InChI=1S/C8H4ClN3O4/c9-3-1-4-5(2-6(3)12(15)16)11-8(14)7(13)10-4/h1-2H,(H,10,13)(H,11,14)
InChIKey
IPRFZVQSFKXGGH-UHFFFAOYSA-N
Synonyms
6-chloro-7-nitro-1,4-dihydroquinoxaline-2,3-dione
6-Chloro-7-nitro-quinoxaline-2,3-diol
MFCD19981425
6-chloro-7-nitro-1,2,3,4-tetrahydroquinoxaline-2,3-dione
CHEMBL445637
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
56.85
TPSA
108.86
LogP / Solubility
WLOGP
0.78
MLOGP
0.69
XLogP3
0.9
Consensus LogP
0.79
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.64
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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