![CAS 150454-82-3 [1,2,4]Triazolo[1,5-A]Quinoxaline-2-Carboxylic Acid, 4,5-Dihydro-4-Oxo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/150454-82-3.gif)
CAS RN: 150454-82-3
[1,2,4]Triazolo[1,5-A]Quinoxaline-2-Carboxylic Acid, 4,5-Dihydro-4-Oxo-
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.20250905 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS150454-82-3
- Purity/Analytical Methods: >99.0%
150454-82-3 / 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
Basic Information
CAS
150454-82-3
Multi CAS
No
Molecular Formula
C10H6N4O3
Molecular Weight
230.180000
Exact Mass
230.043990
SMILES
C1=CC=C2C(=C1)NC(=O)C3=NC(=NN23)C(=O)O
InChI
InChI=1S/C10H6N4O3/c15-9-8-12-7(10(16)17)13-14(8)6-4-2-1-3-5(6)11-9/h1-4H,(H,11,15)(H,16,17)
InChIKey
LVSGNONSJATCHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
13
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
58.07
TPSA
100.35
LogP / Solubility
WLOGP
0.27
MLOGP
0.24
XLogP3
0.8
Consensus LogP
0.44
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-3.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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