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CAS 76052-79-4 2(1H)-Quinoxalinone, 5-methoxy- molecular structure lightbox
CAS RN: 76052-79-4

2(1H)-Quinoxalinone, 5-methoxy-

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250703 100mg Out of stock Inquiry
Batchno.20250907 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250428 1g Out of stock Inquiry
Batchno.20250909 250mg Out of stock Inquiry
  • Product code: starshine_CAS76052-79-4
  • Purity/Analytical Methods: >99.0%
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76052-79-4 / 5-methoxy-1H-quinoxalin-2-one

Standard CAS: 76052-79-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76052-79-4
Multi CAS
Yes
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
InChI
InChI=1S/C9H8N2O2/c1-13-7-4-2-3-6-9(7)10-5-8(12)11-6/h2-5H,1H3,(H,11,12)
InChIKey
QIUSQJFYMAMRJZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.92
TPSA
54.98

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
0.7
Consensus LogP
0.82
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-3.13

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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