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CAS 56-57-5 4-Nitroquinoline N-Oxide molecular structure lightbox
CAS RN: 56-57-5

4-Nitroquinoline N-Oxide

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260315 1g In stock Inquiry
Batchno.20251116 250mg In stock Inquiry
Batchno.20250510 25g Out of stock Inquiry
Batchno.20251121 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250920 1g In stock Shanghai, Wuhan Inquiry
Batchno.20260504 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260123 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20260110 25g In stock Shanghai Inquiry
Batchno.20251023 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-163955
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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: 5g
  • Available purity: ≥98%
  • 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 56-57-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

56-57-5 / 4-nitro-1-oxidoquinolin-1-ium

Standard CAS: 56-57-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
56-57-5
Multi CAS
No
Molecular Formula
C9H6N2O3
Molecular Weight
190.160000
Exact Mass
190.037842
InChI
InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H
InChIKey
YHQDZJICGQWFHK-UHFFFAOYSA-N

Physical Properties

Melting Point
309 °F (NTP, 1992) 154 °C
Physical Description
Yellowish-brown plates or needles or yellow solid. (NTP, 1992) Yellow solid; [HSDB] Yellowish-brown or yellow solid; Hygroscopic and sensitive to light; [CAMEO] Yellow or orange crystalline powder
Appearance
YELLOW NEEDLES OR PLATES FROM ACETONE
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
49.56
TPSA
70.08

LogP / Solubility

WLOGP
1.38
MLOGP
1.21
XLogP3
1.1
Consensus LogP
1.23
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately 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)
-2.9

Drug-likeness / Medicinal Chemistry

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

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