![2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide structure](/static/products/7130/713096-49-2.webp)
2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
TL;DR: 2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 713096-49-2) is a chemical compound with molecular formula C23H25F3N4O2S and molecular weight 478.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C23H25F3N4O2S |
|---|---|
| Molecular Weight | 478.17 g/mol |
| LogP | 5.75 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 478.16504 |
| Heavy Atoms | 33 |
| Complexity | 1084.0557 |
Chemical Identifiers
| CAS Number | 713096-49-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2CC)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 713096-49-2), with molecular formula C23H25F3N4O2S and molecular weight 478.17 g/mol. IUPAC: 2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Property Insights of 2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
The XLogP value of 5.75 indicates that 2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]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-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]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-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The CAS number of 2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide is 713096-49-2.
What is the molecular formula of 2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The molecular formula of 2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide is C23H25F3N4O2S.
What is the molecular weight of 2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
The molecular weight of 2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide is 478.17 g/mol.
Where can I buy 2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
You can request a quote for 2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.