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CAS 112574-44-4 [(E)-(5-nitrofuran-2-yl)methylideneamino]urea molecular structure lightbox
CAS RN: 112574-44-4

[(E)-(5-nitrofuran-2-yl)methylideneamino]urea

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 100mg In stock Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250324 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batchno.20260620 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250322 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250810 5g In stock Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-012936
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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 112574-44-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

112574-44-4 / [(E)-(5-nitrofuran-2-yl)methylideneamino]urea

Nitrofural;NFZ | 2-[(5-Nitro-2-furanyl)methylene]-hydrazinecarboxamide | Spectrum_001005

Standard CAS: 112574-44-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
112574-44-4
Multi CAS
Yes
Molecular Formula
C6H6N4O4
Molecular Weight
198.140000
Exact Mass
198.038905
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)N
InChI
InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+
InChIKey
IAIWVQXQOWNYOU-FPYGCLRLSA-N
Synonyms
Nitrofural;NFZ 2-[(5-Nitro-2-furanyl)methylene]-hydrazinecarboxamide Spectrum_001005 Prestwick0_000492 Prestwick1_000492

Physical Properties

Melting Point
457 to 464 °F (decomposes) (NTP, 1992) 238 °C 457-464 ° F
Boiling Point
236-240 °C
Physical Description
Nitrofurazone appears as odorless pale yellow needles or yellow powder. pH (saturated aqueous solution) 6.0 - 6.5. Alkaline solutions are dark orange. (NTP, 1992) Dry Powder Odorless, lemon-yellow crystalline powder; [HSDB] Solid Odorless pale yellow needles or yellow powder. pH (saturated aqueous solution) 6.0 - 6.5. Alkaline solutions are dark orange.
Appearance
PALE YELLOW NEEDLES LEMON-YELLOW CRYSTALLINE POWDER
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should protect this material from exposure to light and store it under ambient temperatures. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
45.68
TPSA
123.76

LogP / Solubility

WLOGP
0.19
MLOGP
0.17
XLogP3
0.2
Consensus LogP
0.19
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.79

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (43.7%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (43.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501

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