TL;DR: 2,4-Thiazolidinedione, 3,3'-[(1,4-phenylene)bis(methylene)]bis[5-[(3-methylphenyl)amino]- (CAS 1030625-15-0) is a chemical compound with molecular formula C28H26N4O4S2 and molecular weight 546.1395 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3-methylanilino)-3-[[4-[[5-(3-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Also Known As: 2,4-Thiazolidinedione, 3,3'-[(1,4-phenylene)bis(methylene)]bis[5-[(3-methylphenyl)amino]-, 3,3'-(1,4-phenylenebis(methylene))bis(5-(m-tolylamino)thiazolidine-2,4-dione), 3,3'-[1,4-Phenylenebis(methylene)]bis[5-(3-methylanilino)-1,3-thiazolidine-2,4-dione], 3,3'-(benzene-1,4-diyldimethanediyl)bis{5-[(3-methylphenyl)amino]-1,3-thiazolidine-2,4-dione}, 3,3a(2)-[(1,4-Phenylene)bis(methylene)]bis[5-[(3-methylphenyl)amino]-2,4-thiazolidinedione]
| Molecular Formula | C28H26N4O4S2 |
| Molecular Weight | 546.1395 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.1395 Da |
| Heavy Atoms | 38 |
| Complexity | 839.0 |
| SMILES | CC1=CC(=CC=C1)NC2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)CN4C(=O)C(SC4=O)NC5=CC=CC(=C5)C |
| InChIKey | FENGPXPYFDITJR-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that 2,4-Thiazolidinedione, 3,3'-[(1,4-phenylene)bis(methylene)]bis[5-[(3-methylphenyl)amino]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting 2,4-Thiazolidinedione, 3,3'-[(1,4-phenylene)bis(methylene)]bis[5-[(3-methylphenyl)amino]- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-Thiazolidinedione, 3,3'-[(1,4-phenylene)bis(methylene)]bis[5-[(3-methylphenyl)amino]- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,4-Thiazolidinedione, 3,3'-[(1,4-phenylene)bis(methylene)]bis[5-[(3-methylphenyl)amino]- is 1030625-15-0.
The molecular formula of 2,4-Thiazolidinedione, 3,3'-[(1,4-phenylene)bis(methylene)]bis[5-[(3-methylphenyl)amino]- is C28H26N4O4S2.
The molecular weight of 2,4-Thiazolidinedione, 3,3'-[(1,4-phenylene)bis(methylene)]bis[5-[(3-methylphenyl)amino]- is 546.1395 g/mol.
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