TL;DR: Ethyl 2-[3-(3,4-dichlorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate (CAS 128043-72-1) is a chemical compound with molecular formula C14H12Cl2N2O5 and molecular weight 358.01233 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[3-[(3,4-dichlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate
Also Known As: Bionet1_002844, ethyl 2-[3-(3,4-dichlorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate, 12M-003, ethyl 2-[3-[(3,4-dichlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetate, ethyl 2-{3-[(3,4-dichlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl}acetate
| Molecular Formula | C14H12Cl2N2O5 |
| Molecular Weight | 358.01233 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 84.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.01233 Da |
| Heavy Atoms | 23 |
| Complexity | 527.0 |
| SMILES | CCOC(=O)CN1C(=O)C(=O)N(C1=O)CC2=CC(=C(C=C2)Cl)Cl |
| InChIKey | PPCFZEPAZCOXPQ-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[3-(3,4-dichlorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[3-(3,4-dichlorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[3-(3,4-dichlorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethyl 2-[3-(3,4-dichlorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate is 128043-72-1.
The molecular formula of Ethyl 2-[3-(3,4-dichlorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate is C14H12Cl2N2O5.
The molecular weight of Ethyl 2-[3-(3,4-dichlorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate is 358.01233 g/mol.
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