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CAS RN: 41443-28-1
1H-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one
Product Availability
Choose a grade to view its available package options.
12 package records12 with current stock4 grade groups
- Product code: ICTO0400
- Purity/Analytical Methods: >95.0%(GC)
41443-28-1 / [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one
Basic Information
CAS
41443-28-1
Multi CAS
Yes
Molecular Formula
C9H5N3O2
Molecular Weight
187.150000
Exact Mass
187.038176
InChI
InChI=1S/C9H5N3O2/c13-9-12-7-4-2-1-3-6(7)10-5-8(12)11-14-9/h1-5H
InChIKey
LZMHWZHOZLVYDL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
13
H-bond acceptors
5
Molar refractivity
49.03
TPSA
60.4
LogP / Solubility
WLOGP
0.84
MLOGP
0.73
XLogP3
1.1
Consensus LogP
0.89
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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