![Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate # structure](/static/products/374/374100-08-0.png)
Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate #
TL;DR: Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate # (CAS 374100-08-0) is a chemical compound with molecular formula C16H17F6N3O4S and molecular weight 461.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)carbamoylamino]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate
Also Known As: Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate #, ethyl 2-(3-(3-cyano-4-ethyl-5-methylthiophen-2-yl)ureido)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate, ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)carbamoylamino]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate, ethyl N-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)carbamoyl]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)alaninate, Propanoic acid, 2-[3-(3-cyano-4-ethyl-5-methyl-2-thienyl)ureido]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)-, ethyl ester
| Molecular Formula | C16H17F6N3O4S |
|---|---|
| Molecular Weight | 461.08 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.08438 |
| Heavy Atoms | 30 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 374100-08-0 |
|---|---|
| SMILES | CCC1=C(SC(=C1C#N)NC(=O)NC(C(=O)OCC)(C(F)(F)F)OCC(F)(F)F)C |
| InChIKey | CLGHYZNFYQPLQV-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate # (CAS 374100-08-0), with molecular formula C16H17F6N3O4S and molecular weight 461.08 g/mol. IUPAC: ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)carbamoylamino]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate.
Chemical Property Profile of Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate #
Property Insights of Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate #
The XLogP value of 4.7 indicates that Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate # is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate #. Following Lipinski's Rule of Five, Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate # has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate #?
The CAS number of Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate # is 374100-08-0.
What is the molecular formula of Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate #?
The molecular formula of Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate # is C16H17F6N3O4S.
What is the molecular weight of Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate #?
The molecular weight of Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate # is 461.08 g/mol.
Where can I buy Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate #?
You can request a quote for Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate # 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-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate #?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(([(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]carbonyl)amino)-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate # and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.