(E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide
TL;DR: (E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide (CAS 315230-09-2) is a chemical compound with molecular formula C26H22N6O4S and molecular weight 514.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
Also Known As: (E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide, 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide, 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide, 2-{[5-(4-METHOXYPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E,2E)-3-(2-NITROPHENYL)-2-PROPENYLIDENE]ACETOHYDRAZIDE
| Molecular Formula | C26H22N6O4S |
|---|---|
| Molecular Weight | 514.14 g/mol |
| LogP | 4.7586 |
| Topological Polar Surface Area | 124.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 514.14233 |
| Heavy Atoms | 37 |
| Complexity | 1435.2196 |
Chemical Identifiers
| CAS Number | 315230-09-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C/C=C/C4=CC=CC=C4[N+](=O)[O-] |
Product Overview
(E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide (CAS 315230-09-2), with molecular formula C26H22N6O4S and molecular weight 514.14 g/mol. IUPAC: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide.
Chemical Property Profile of (E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide
Property Insights of (E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide
The XLogP value of 4.7586 indicates that (E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.54 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide has 1 hydrogen bond donor(s) and 8 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-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide?
The CAS number of (E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide is 315230-09-2.
What is the molecular formula of (E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide?
The molecular formula of (E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide is C26H22N6O4S.
What is the molecular weight of (E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide?
The molecular weight of (E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide is 514.14 g/mol.
Where can I buy (E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide?
You can request a quote for (E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)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-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.