![2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide structure](/static/products/6944/694469-06-2.webp)
2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide
TL;DR: 2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide (CAS 694469-06-2) is a chemical compound with molecular formula C21H21Cl3N4O2S and molecular weight 498.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[1-(4-ethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
Also Known As: 2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide, 2-[[5-[1-(4-ethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
| Molecular Formula | C21H21Cl3N4O2S |
|---|---|
| Molecular Weight | 498.05 g/mol |
| LogP | 6.2085 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.04507 |
| Heavy Atoms | 31 |
| Complexity | 1073.2319 |
Chemical Identifiers
| CAS Number | 694469-06-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2C)SCC(=O)NC3=CC(=C(C=C3Cl)Cl)Cl |
Product Overview
2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide (CAS 694469-06-2), with molecular formula C21H21Cl3N4O2S and molecular weight 498.05 g/mol. IUPAC: 2-[[5-[1-(4-ethylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide.
Chemical Property Profile of 2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide
Property Insights of 2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide
The XLogP value of 6.2085 indicates that 2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide. Following Lipinski's Rule of Five, 2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide 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-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide?
The CAS number of 2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide is 694469-06-2.
What is the molecular formula of 2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide?
The molecular formula of 2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide is C21H21Cl3N4O2S.
What is the molecular weight of 2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide?
The molecular weight of 2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide is 498.05 g/mol.
Where can I buy 2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide?
You can request a quote for 2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[1-(4-ethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4,5-trichlorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.