![ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate structure](/static/products/866/866010-91-5.png)
ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
TL;DR: ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate (CAS 866010-91-5) is a chemical compound with molecular formula C13H13F3N4O4S2 and molecular weight 410.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate, ethyl 2-[[5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl 2-({3-[2-(trifluoromethyl)benzenesulfonamido]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate, ethyl2-({3-[2-(trifluoromethyl)benzenesulfonamido]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate
| Molecular Formula | C13H13F3N4O4S2 |
|---|---|
| Molecular Weight | 410.03 g/mol |
| LogP | 2.2795 |
| Topological Polar Surface Area | 114.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 410.03302 |
| Heavy Atoms | 26 |
| Complexity | 883.50946 |
Chemical Identifiers
| CAS Number | 866010-91-5 |
|---|---|
| SMILES | CCOC(=O)CSC1=NNC(=N1)NS(=O)(=O)C2=CC=CC=C2C(F)(F)F |
Product Overview
ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate (CAS 866010-91-5), with molecular formula C13H13F3N4O4S2 and molecular weight 410.03 g/mol. IUPAC: ethyl 2-[[5-[[2-(trifluoromethyl)phenyl]sulfonylamino]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
Property Insights of ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
The XLogP value of 2.2795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate. The TPSA of 114.04 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate has 2 hydrogen bond donor(s) and 7 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-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate?
The CAS number of ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate is 866010-91-5.
What is the molecular formula of ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate?
The molecular formula of ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate is C13H13F3N4O4S2.
What is the molecular weight of ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate?
The molecular weight of ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate is 410.03 g/mol.
Where can I buy ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate?
You can request a quote for ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-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-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[3-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.