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CAS 114722-60-0 Pyrazolo[1,5-a]quinoxalin-4(5H)-one (6CI) molecular structure lightbox
CAS RN: 114722-60-0

Pyrazolo[1,5-a]quinoxalin-4(5H)-one (6CI)

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4 package records0 with current stock2 grade groups
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Batchno.20251105 100mg Out of stock Inquiry
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  • Product code: starshine_CAS114722-60-0
  • Purity/Analytical Methods: >99.0%
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114722-60-0 / 5H-pyrazolo[1,5-a]quinoxalin-4-one

Pyrazolo[1,5-a]quinoxalin-4(5H)-one | 5H-PYRAZOLO[1,5-A]QUINOXALIN-4-ONE | Pyrazolo[1,5-a]quinoxalin-4(5H)-one (6CI)

Standard CAS: 114722-60-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
114722-60-0
Multi CAS
Yes
Molecular Formula
C10H7N3O
Molecular Weight
185.180000
Exact Mass
185.058912
SMILES
C1=CC=C2C(=C1)NC(=O)C3=CC=NN23
InChI
InChI=1S/C10H7N3O/c14-10-9-5-6-11-13(9)8-4-2-1-3-7(8)12-10/h1-6H,(H,12,14)
InChIKey
BNKZAGNSCZCLIN-UHFFFAOYSA-N
Synonyms
Pyrazolo[1,5-a]quinoxalin-4(5H)-one 5H-PYRAZOLO[1,5-A]QUINOXALIN-4-ONE Pyrazolo[1,5-a]quinoxalin-4(5H)-one (6CI) SCHEMBL16317806 SCHEMBL30273082

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
13
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.32
TPSA
50.16

LogP / Solubility

WLOGP
1.18
MLOGP
1.03
XLogP3
1.1
Consensus LogP
1.1
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-3.01

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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