![ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate structure](/static/products/6802/680212-25-3.webp)
ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate
TL;DR: ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate (CAS 680212-25-3) is a chemical compound with molecular formula C21H15ClF3N3O5S and molecular weight 513.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate
Also Known As: ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate, Ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-((2-(trifluoromethyl)phenyl)amino)thiophene-3-carboxylate, 3-Thiophenecarboxylic acid, 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[[2-(trifluoromethyl)phenyl]amino]-, ethyl ester, Ethyl-4-amino-5-(4-chloro-3-nitro-benzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate, ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-{[2-(trifluoromethyl)phenyl]amino}thiophene-3-carboxylate
| Molecular Formula | C21H15ClF3N3O5S |
|---|---|
| Molecular Weight | 513.04 g/mol |
| LogP | 6.062 |
| Topological Polar Surface Area | 124.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.0373 |
| Heavy Atoms | 34 |
| Complexity | 1293.1438 |
Chemical Identifiers
| CAS Number | 680212-25-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1N)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])NC3=CC=CC=C3C(F)(F)F |
Product Overview
ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate (CAS 680212-25-3), with molecular formula C21H15ClF3N3O5S and molecular weight 513.04 g/mol. IUPAC: ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate
Property Insights of ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate
The XLogP value of 6.062 indicates that ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate?
The CAS number of ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate is 680212-25-3.
What is the molecular formula of ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate?
The molecular formula of ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate is C21H15ClF3N3O5S.
What is the molecular weight of ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate?
The molecular weight of ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate is 513.04 g/mol.
Where can I buy ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate?
You can request a quote for ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-amino-5-(4-chloro-3-nitrobenzoyl)-2-[2-(trifluoromethyl)anilino]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.