(E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide
TL;DR: (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide (CAS 347879-89-4) is a chemical compound with molecular formula C26H24N6O3S and molecular weight 500.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylbutan-2-ylideneamino]acetamide
Also Known As: (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide, 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylbutan-2-ylideneamino]acetamide, 2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(2E)-1-phenylbutan-2-ylidene]acetohydrazide
| Molecular Formula | C26H24N6O3S |
|---|---|
| Molecular Weight | 500.16 g/mol |
| LogP | 5.0595 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 500.16306 |
| Heavy Atoms | 36 |
| Complexity | 1372.967 |
Chemical Identifiers
| CAS Number | 347879-89-4 |
|---|---|
| SMILES | CC/C(=N\NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])/CC4=CC=CC=C4 |
Product Overview
(E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide (CAS 347879-89-4), with molecular formula C26H24N6O3S and molecular weight 500.16 g/mol. IUPAC: 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylbutan-2-ylideneamino]acetamide.
Chemical Property Profile of (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide
Property Insights of (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide
The XLogP value of 5.0595 indicates that (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide?
The CAS number of (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide is 347879-89-4.
What is the molecular formula of (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide?
The molecular formula of (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide is C26H24N6O3S.
What is the molecular weight of (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide?
The molecular weight of (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide is 500.16 g/mol.
Where can I buy (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide?
You can request a quote for (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylbutan-2-ylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.