![2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide structure](/static/products/330/330838-57-8.png)
2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide
TL;DR: 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide (CAS 330838-57-8) is a chemical compound with molecular formula C22H21BrClN5OS and molecular weight 517.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
Also Known As: 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide, 2-((5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N'-((E)-1-(4-CHLOROPHENYL)ETHYLIDENE)ACETOHYDRAZIDE, 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide, 651-120-0, N-[(1E)-2-(4-chlorophenyl)-1-azaprop-1-enyl]-2-[5-(4-bromophenyl)-4-(2-methylp rop-2-enyl)(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C22H21BrClN5OS |
|---|---|
| Molecular Weight | 517.03 g/mol |
| LogP | 5.5696 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.0339 |
| Heavy Atoms | 31 |
| Complexity | 1109.9348 |
Chemical Identifiers
| CAS Number | 330838-57-8 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)N/N=C(\C)/C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Br |
Product Overview
2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide (CAS 330838-57-8), with molecular formula C22H21BrClN5OS and molecular weight 517.03 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide.
Chemical Property Profile of 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide
Property Insights of 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide
The XLogP value of 5.5696 indicates that 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]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-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]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-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide?
The CAS number of 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide is 330838-57-8.
What is the molecular formula of 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide?
The molecular formula of 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide is C22H21BrClN5OS.
What is the molecular weight of 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide?
The molecular weight of 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide is 517.03 g/mol.
Where can I buy 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide?
You can request a quote for 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-(4-chlorophenyl)ethylidene]acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.