![4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole structure](/static/products/301/301350-76-5.png)
4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole
TL;DR: 4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole (CAS 301350-76-5) 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-4-nitrophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: AB00083835-01, (E)-1-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine, 4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole, 1-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine, 5-((1E)-2-(1,2,4-triazol-4-yl)-2-azavinyl)-2-(2-chloro-4-nitrophenyl)furan
| 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 | 301350-76-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)C2=CC=C(O2)/C=N/N3C=NN=C3 |
Product Overview
4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole (CAS 301350-76-5), with molecular formula C13H8ClN5O3 and molecular weight 317.03 g/mol. IUPAC: (E)-1-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of 4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole
Property Insights of 4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole
The XLogP value of 2.9819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole. The TPSA of 99.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole 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 4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole?
The CAS number of 4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole is 301350-76-5.
What is the molecular formula of 4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole?
The molecular formula of 4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole is C13H8ClN5O3.
What is the molecular weight of 4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole?
The molecular weight of 4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole is 317.03 g/mol.
Where can I buy 4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole?
You can request a quote for 4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(5-{2-chloro-4-nitrophenyl}-2-furyl)methylene]amino}-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.