TL;DR: 2-Oxo-2-(thiophen-2-yl)ethyl 2-[(4-ethoxyphenyl)amino]-4-oxo-4-phenylbutanoate (CAS 1042694-12-1) is a chemical compound with molecular formula C24H23NO5S and molecular weight 437.1297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-oxo-2-thiophen-2-ylethyl) 2-(4-ethoxyanilino)-4-oxo-4-phenylbutanoate
Also Known As: 2-oxo-2-(thiophen-2-yl)ethyl 2-[(4-ethoxyphenyl)amino]-4-oxo-4-phenylbutanoate, (2-oxo-2-thiophen-2-ylethyl) 2-(4-ethoxyanilino)-4-oxo-4-phenylbutanoate, (2-oxo-2-thiophen-2-yl-ethyl) 2-[(4-ethoxyphenyl)amino]-4-oxo-4-phenyl-butanoate, 2-oxo-2-(thiophen-2-yl)ethyl 2-((4-ethoxyphenyl)amino)-4-oxo-4-phenylbutanoate
| Molecular Formula | C24H23NO5S |
| Molecular Weight | 437.1297 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 437.1297 Da |
| Heavy Atoms | 31 |
| Complexity | 599.0 |
| SMILES | CCOC1=CC=C(C=C1)NC(CC(=O)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=CS3 |
| InChIKey | SCXXOMIXPOVDLZ-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 2-Oxo-2-(thiophen-2-yl)ethyl 2-[(4-ethoxyphenyl)amino]-4-oxo-4-phenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-(thiophen-2-yl)ethyl 2-[(4-ethoxyphenyl)amino]-4-oxo-4-phenylbutanoate. Following Lipinski's Rule of Five, 2-Oxo-2-(thiophen-2-yl)ethyl 2-[(4-ethoxyphenyl)amino]-4-oxo-4-phenylbutanoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Oxo-2-(thiophen-2-yl)ethyl 2-[(4-ethoxyphenyl)amino]-4-oxo-4-phenylbutanoate is 1042694-12-1.
The molecular formula of 2-Oxo-2-(thiophen-2-yl)ethyl 2-[(4-ethoxyphenyl)amino]-4-oxo-4-phenylbutanoate is C24H23NO5S.
The molecular weight of 2-Oxo-2-(thiophen-2-yl)ethyl 2-[(4-ethoxyphenyl)amino]-4-oxo-4-phenylbutanoate is 437.1297 g/mol.
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