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CAS 53374-52-0 2(1H)-Quinoxalinone,3,4-dihydro-4-nitroso-(9CI) molecular structure lightbox
CAS RN: 53374-52-0

2(1H)-Quinoxalinone,3,4-dihydro-4-nitroso-(9CI)

  • Product code: SSC-160694
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 53374-52-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

53374-52-0 / 4-nitroso-1,3-dihydroquinoxalin-2-one

Standard CAS: 53374-52-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53374-52-0
Multi CAS
No
Molecular Formula
C8H7N3O2
Molecular Weight
177.160000
Exact Mass
177.053826
InChI
InChI=1S/C8H7N3O2/c12-8-5-11(10-13)7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,12)
InChIKey
ODRZHTKRWUWXFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.21
TPSA
61.77

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
0.7
Consensus LogP
0.94
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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