(E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide
TL;DR: (E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide (CAS 714937-08-3) is a chemical compound with molecular formula C22H18N6O4S and molecular weight 462.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]methylideneamino]furan-2-carboxamide
Also Known As: (E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide, N'-[(E)-{4-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl}methylidene]furan-2-carbohydrazide, N-[(E)-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]methylideneamino]furan-2-carboxamide
| Molecular Formula | C22H18N6O4S |
|---|---|
| Molecular Weight | 462.11 g/mol |
| LogP | 4.3813 |
| Topological Polar Surface Area | 128.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.11102 |
| Heavy Atoms | 33 |
| Complexity | 1301.9395 |
Chemical Identifiers
| CAS Number | 714937-08-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=CO3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
(E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide (CAS 714937-08-3), with molecular formula C22H18N6O4S and molecular weight 462.11 g/mol. IUPAC: N-[(E)-[4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]methylideneamino]furan-2-carboxamide.
Chemical Property Profile of (E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide
Property Insights of (E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide
The XLogP value of 4.3813 indicates that (E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide. Following Lipinski's Rule of Five, (E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide has 1 hydrogen bond donor(s) and 8 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 (E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide?
The CAS number of (E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide is 714937-08-3.
What is the molecular formula of (E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide?
The molecular formula of (E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide is C22H18N6O4S.
What is the molecular weight of (E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide?
The molecular weight of (E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide is 462.11 g/mol.
Where can I buy (E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide?
You can request a quote for (E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-(4-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzylidene)furan-2-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.