(E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide
TL;DR: (E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide (CAS 315199-91-8) is a chemical compound with molecular formula C26H22ClN5OS and molecular weight 487.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
Also Known As: (E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide, 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
| Molecular Formula | C26H22ClN5OS |
|---|---|
| Molecular Weight | 487.12 g/mol |
| LogP | 5.8853 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.12335 |
| Heavy Atoms | 34 |
| Complexity | 1302.2975 |
Chemical Identifiers
| CAS Number | 315199-91-8 |
|---|---|
| SMILES | C/C(=C/C1=CC=CC=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
Product Overview
(E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide (CAS 315199-91-8), with molecular formula C26H22ClN5OS and molecular weight 487.12 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.
Chemical Property Profile of (E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide
Property Insights of (E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide
The XLogP value of 5.8853 indicates that (E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide has 1 hydrogen bond donor(s) and 5 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-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide?
The CAS number of (E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide is 315199-91-8.
What is the molecular formula of (E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide?
The molecular formula of (E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide is C26H22ClN5OS.
What is the molecular weight of (E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide?
The molecular weight of (E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide is 487.12 g/mol.
Where can I buy (E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide?
You can request a quote for (E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-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-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((4-(4-chlorophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.