CAS RN: 188699-42-5
2,3-DIMETHOXY-7-NITROQUINOXALINE-5-CARBALDEHYDE(WXG01340)
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.20250319 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS188699-42-5
- Purity/Analytical Methods: >99.0%
188699-42-5 / 2,3-dimethoxy-7-nitroquinoxaline-5-carbaldehyde
Basic Information
CAS
188699-42-5
Multi CAS
No
Molecular Formula
C11H9N3O5
Molecular Weight
263.210000
Exact Mass
263.054220
SMILES
COC1=NC2=CC(=CC(=C2N=C1OC)C=O)[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O5/c1-18-10-11(19-2)13-9-6(5-15)3-7(14(16)17)4-8(9)12-10/h3-5H,1-2H3
InChIKey
ZOBFQZDTPCNMRE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
64.68
TPSA
104.45
LogP / Solubility
WLOGP
1.37
MLOGP
1.21
XLogP3
1.1
Consensus LogP
1.23
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately 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)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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