![2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide structure](/static/products/497/497083-46-2.png)
2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide
TL;DR: 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide (CAS 497083-46-2) is a chemical compound with molecular formula C26H22BrN5OS and molecular weight 531.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
Also Known As: 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide, (E)-2-((4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-2-methyl-3-phenylallylidene)acetohydrazide, 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide, N-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-2-[4-(4-bromophenyl)-5-phen yl(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C26H22BrN5OS |
|---|---|
| Molecular Weight | 531.07 g/mol |
| LogP | 5.9944 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.0728 |
| Heavy Atoms | 34 |
| Complexity | 1302.2975 |
Chemical Identifiers
| CAS Number | 497083-46-2 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=CC=C4 |
Product Overview
2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide (CAS 497083-46-2), with molecular formula C26H22BrN5OS and molecular weight 531.07 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.
Chemical Property Profile of 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide
Property Insights of 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide
The XLogP value of 5.9944 indicates that 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]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 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]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 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide?
The CAS number of 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide is 497083-46-2.
What is the molecular formula of 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide?
The molecular formula of 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide is C26H22BrN5OS.
What is the molecular weight of 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide?
The molecular weight of 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide is 531.07 g/mol.
Where can I buy 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide?
You can request a quote for 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.