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N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine structure
Fine Chemical

N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine

TL;DR: N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine (CAS 118083-02-6) is a chemical compound with molecular formula C13H10N4O4 and molecular weight 286.0702 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine

Also Known As: N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine

CAS Number
118083-02-6
Molecular Formula
C13H10N4O4
Molecular Weight
286.0702 g/mol
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Technical Specifications

Molecular FormulaC13H10N4O4
Molecular Weight286.0702 g/mol
XLogP2.1
Topological Polar Surface Area (TPSA)105.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors6
Rotatable Bonds3
Exact Mass286.0702 Da
Heavy Atoms21
Complexity448.0
SMILESC1C(=NC2=CC=CC=C2O1)NN=CC3=CC=C(O3)[N+](=O)[O-]
InChIKeyQYCJDXFTCJCRII-UHFFFAOYSA-N

Chemical Property Profile of N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine

XLogP
2.1
TPSA (Topological Polar Surface Area)
105.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
Rotatable Bonds
3
Heavy Atoms
21
Complexity
448.0
Exact Mass
286.0702
Monoisotopic Mass
286.0702
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine

The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine. Following Lipinski's Rule of Five, N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine?

The CAS number of N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine is 118083-02-6.

What is the molecular formula of N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine?

The molecular formula of N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine is C13H10N4O4.

What is the molecular weight of N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine?

The molecular weight of N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine is 286.0702 g/mol.

Where can I buy N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine?

You can request a quote for N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine?

Yes, CoreyChem provides custom synthesis services for N-[(5-nitrofuran-2-yl)methylideneamino]-2H-1,4-benzoxazin-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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