TL;DR: Ethyl 5'-(3-chlorobenzamido)-[2,3'-bithiophene]-4'-carboxylate (CAS 374545-47-8) is a chemical compound with molecular formula C18H14ClNO3S2 and molecular weight 391.01038 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(3-chlorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
Also Known As: ETHYL 5'-(3-CHLOROBENZAMIDO)-[2,3'-BITHIOPHENE]-4'-CARBOXYLATE, ethyl 2-[(3-chlorobenzoyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate, ethyl 5'-{[(3-chlorophenyl)carbonyl]amino}-2,3'-bithiophene-4'-carboxylate
| Molecular Formula | C18H14ClNO3S2 |
| Molecular Weight | 391.01038 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.01038 Da |
| Heavy Atoms | 25 |
| Complexity | 493.0 |
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C3=CC(=CC=C3)Cl |
| InChIKey | MDZKSLFHOBZPJR-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that Ethyl 5'-(3-chlorobenzamido)-[2,3'-bithiophene]-4'-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5'-(3-chlorobenzamido)-[2,3'-bithiophene]-4'-carboxylate. Following Lipinski's Rule of Five, Ethyl 5'-(3-chlorobenzamido)-[2,3'-bithiophene]-4'-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ethyl 5'-(3-chlorobenzamido)-[2,3'-bithiophene]-4'-carboxylate is 374545-47-8.
The molecular formula of Ethyl 5'-(3-chlorobenzamido)-[2,3'-bithiophene]-4'-carboxylate is C18H14ClNO3S2.
The molecular weight of Ethyl 5'-(3-chlorobenzamido)-[2,3'-bithiophene]-4'-carboxylate is 391.01038 g/mol.
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