![ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate structure](/static/products/2948/294853-35-3.webp)
ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
TL;DR: ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 294853-35-3) is a chemical compound with molecular formula C14H13F4N3O2S and molecular weight 363.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, ethyl 2-[[4-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl 2-({4-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, ethyl 2-({4-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl}sulfanyl)acetate, ethyl2-({4-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
| Molecular Formula | C14H13F4N3O2S |
|---|---|
| Molecular Weight | 363.07 g/mol |
| LogP | 3.1395 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.06647 |
| Heavy Atoms | 24 |
| Complexity | 701.0354 |
Chemical Identifiers
| CAS Number | 294853-35-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1CC2=CC=C(C=C2)F)C(F)(F)F |
Product Overview
ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate (CAS 294853-35-3), with molecular formula C14H13F4N3O2S and molecular weight 363.07 g/mol. IUPAC: ethyl 2-[[4-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Property Insights of ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
The XLogP value of 3.1395 indicates that ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The CAS number of ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 294853-35-3.
What is the molecular formula of ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular formula of ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is C14H13F4N3O2S.
What is the molecular weight of ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
The molecular weight of ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate is 363.07 g/mol.
Where can I buy ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
You can request a quote for ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[4-(4-fluorobenzyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.