TL;DR: AT-057/41290482 (CAS 1008704-14-0) is a chemical compound with molecular formula C19H18N2O4S and molecular weight 370.09872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[[5-(2-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate
Also Known As: AT-057/41290482, methyl 3-({5-[(2-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate, methyl 3-[[5-(2-methylanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate, methyl 3-((2,4-dioxo-5-(o-tolylamino)thiazolidin-3-yl)methyl)benzoate, methyl 3-({5-[(2-methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)ben zoate
| Molecular Formula | C19H18N2O4S |
| Molecular Weight | 370.09872 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.09872 Da |
| Heavy Atoms | 26 |
| Complexity | 556.0 |
| SMILES | CC1=CC=CC=C1NC2C(=O)N(C(=O)S2)CC3=CC(=CC=C3)C(=O)OC |
| InChIKey | VGRCYJRHIFKFSB-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that AT-057/41290482 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 AT-057/41290482. Following Lipinski's Rule of Five, AT-057/41290482 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of AT-057/41290482 is 1008704-14-0.
The molecular formula of AT-057/41290482 is C19H18N2O4S.
The molecular weight of AT-057/41290482 is 370.09872 g/mol.
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