![N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine structure](/static/products/328/328075-94-1.png)
N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine
TL;DR: N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine (CAS 328075-94-1) is a chemical compound with molecular formula C13H8ClN5O3 and molecular weight 317.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine, (E)-1-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine, (E)-1-[5-(2-Chloro-5-nitrophenyl)furan-2-yl]-N-(4H-1,2,4-triazol-4-yl)methanimine, (E)-N-((5-(2-chloro-5-nitrophenyl)furan-2-yl)methylene)-4H-1,2,4-triazol-4-amine, 1-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
| Molecular Formula | C13H8ClN5O3 |
|---|---|
| Molecular Weight | 317.03 g/mol |
| LogP | 2.9819 |
| Topological Polar Surface Area | 99.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.03156 |
| Heavy Atoms | 22 |
| Complexity | 841.24493 |
Chemical Identifiers
| CAS Number | 328075-94-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C2=CC=C(O2)/C=N/N3C=NN=C3)Cl |
Product Overview
N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine (CAS 328075-94-1), with molecular formula C13H8ClN5O3 and molecular weight 317.03 g/mol. IUPAC: (E)-1-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine
Property Insights of N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine
The XLogP value of 2.9819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine. The TPSA of 99.35 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine?
The CAS number of N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine is 328075-94-1.
What is the molecular formula of N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine?
The molecular formula of N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine is C13H8ClN5O3.
What is the molecular weight of N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine?
The molecular weight of N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine is 317.03 g/mol.
Where can I buy N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine?
You can request a quote for N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-{(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.