(E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide
TL;DR: (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide (CAS 578749-87-8) is a chemical compound with molecular formula C25H20N6O3S and molecular weight 484.13 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)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Also Known As: (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide, 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide, 2-{[5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide, N-(cinnamylideneamino)-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C25H20N6O3S |
|---|---|
| Molecular Weight | 484.13 g/mol |
| LogP | 4.75 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 484.13177 |
| Heavy Atoms | 35 |
| Complexity | 1370.4897 |
Chemical Identifiers
| CAS Number | 578749-87-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C=N/NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
(E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide (CAS 578749-87-8), with molecular formula C25H20N6O3S and molecular weight 484.13 g/mol. IUPAC: 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.
Chemical Property Profile of (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide
Property Insights of (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide
The XLogP value of 4.75 indicates that (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)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'-((E)-3-phenylallylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide has 1 hydrogen bond donor(s) and 7 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)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide?
The CAS number of (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide is 578749-87-8.
What is the molecular formula of (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide?
The molecular formula of (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide is C25H20N6O3S.
What is the molecular weight of (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide?
The molecular weight of (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide is 484.13 g/mol.
Where can I buy (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide?
You can request a quote for (E)-2-((5-(3-nitrophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)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'-((E)-3-phenylallylidene)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'-((E)-3-phenylallylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.