(E)-2-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide
TL;DR: (E)-2-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide (CAS 348100-50-5) is a chemical compound with molecular formula C21H21BrN6O4S and molecular weight 532.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-[[2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
Also Known As: (E)-2-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide, 2-(4-{(E)-[2-({[5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2-methoxyphenoxy)acetamide, 2-[4-[(E)-[[2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide, N-{(1E)-2-[4-(carbamoylmethoxy)-3-methoxyphenyl]-1-azavinyl}-2-[5-(3-bromophen yl)-4-methyl(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C21H21BrN6O4S |
|---|---|
| Molecular Weight | 532.05 g/mol |
| LogP | 2.3597 |
| Topological Polar Surface Area | 133.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 532.05286 |
| Heavy Atoms | 33 |
| Complexity | 1183.3116 |
Chemical Identifiers
| CAS Number | 348100-50-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N/N=C/C2=CC(=C(C=C2)OCC(=O)N)OC)C3=CC(=CC=C3)Br |
Product Overview
(E)-2-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide (CAS 348100-50-5), with molecular formula C21H21BrN6O4S and molecular weight 532.05 g/mol. IUPAC: 2-[4-[(E)-[[2-[[5-(3-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide.
Chemical Property Profile of (E)-2-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide
Property Insights of (E)-2-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide
The XLogP value of 2.3597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide. The TPSA of 133.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide. Following Lipinski's Rule of Five, (E)-2-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide has 2 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-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide?
The CAS number of (E)-2-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide is 348100-50-5.
What is the molecular formula of (E)-2-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide?
The molecular formula of (E)-2-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide is C21H21BrN6O4S.
What is the molecular weight of (E)-2-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide?
The molecular weight of (E)-2-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide is 532.05 g/mol.
Where can I buy (E)-2-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide?
You can request a quote for (E)-2-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide 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-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-((2-(2-((5-(3-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenoxy)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.