TL;DR: 2-Oxo-2-(2-thienyl)ethyl 2-[(2,3-dichlorophenyl)amino]-4-oxo-4-phenylbutanoate (CAS 1042693-44-6) is a chemical compound with molecular formula C22H17Cl2NO4S and molecular weight 461.02554 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-oxo-2-thiophen-2-ylethyl) 2-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate
Also Known As: 2-oxo-2-(thiophen-2-yl)ethyl 2-[(2,3-dichlorophenyl)amino]-4-oxo-4-phenylbutanoate, (2-oxo-2-thiophen-2-ylethyl) 2-(2,3-dichloroanilino)-4-oxo-4-phenylbutanoate, 2-oxo-2-(2-thienyl)ethyl 2-[(2,3-dichlorophenyl)amino]-4-oxo-4-phenylbutanoate, 2-oxo-2-(thiophen-2-yl)ethyl 2-((2,3-dichlorophenyl)amino)-4-oxo-4-phenylbutanoate
| Molecular Formula | C22H17Cl2NO4S |
| Molecular Weight | 461.02554 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 461.02554 Da |
| Heavy Atoms | 30 |
| Complexity | 614.0 |
| SMILES | C1=CC=C(C=C1)C(=O)CC(C(=O)OCC(=O)C2=CC=CS2)NC3=C(C(=CC=C3)Cl)Cl |
| InChIKey | KRVDTCZUGXBHLF-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that 2-Oxo-2-(2-thienyl)ethyl 2-[(2,3-dichlorophenyl)amino]-4-oxo-4-phenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-(2-thienyl)ethyl 2-[(2,3-dichlorophenyl)amino]-4-oxo-4-phenylbutanoate. Following Lipinski's Rule of Five, 2-Oxo-2-(2-thienyl)ethyl 2-[(2,3-dichlorophenyl)amino]-4-oxo-4-phenylbutanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Oxo-2-(2-thienyl)ethyl 2-[(2,3-dichlorophenyl)amino]-4-oxo-4-phenylbutanoate is 1042693-44-6.
The molecular formula of 2-Oxo-2-(2-thienyl)ethyl 2-[(2,3-dichlorophenyl)amino]-4-oxo-4-phenylbutanoate is C22H17Cl2NO4S.
The molecular weight of 2-Oxo-2-(2-thienyl)ethyl 2-[(2,3-dichlorophenyl)amino]-4-oxo-4-phenylbutanoate is 461.02554 g/mol.
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