TL;DR: 3-[(4-Nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione (CAS 103753-40-8) is a chemical compound with molecular formula C10H8N2O4S and molecular weight 252.02048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
Also Known As: 3-(4-nitrobenzyl)-1,3-thiazolidine-2,4-dione, 3-(4-nitrobenzyl)thiazolidine-2,4-dione, 3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione, 3-(4'-nitrobenzyl)thiazolidin-2,4-dione, 3-(4-nitrobenzyl)-thiazolidine-2,4-dione
| Molecular Formula | C10H8N2O4S |
| Molecular Weight | 252.02048 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.02048 Da |
| Heavy Atoms | 17 |
| Complexity | 347.0 |
| SMILES | C1C(=O)N(C(=O)S1)CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | MHZDRNMPGIOPBA-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione. Following Lipinski's Rule of Five, 3-[(4-Nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione 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 3-[(4-Nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione is 103753-40-8.
The molecular formula of 3-[(4-Nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione is C10H8N2O4S.
The molecular weight of 3-[(4-Nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione is 252.02048 g/mol.
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