TL;DR: alpha,alpha-Dimethyl-2-((2-methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoic acid (CAS 161364-70-1) is a chemical compound with molecular formula C16H21NO5S and molecular weight 339.11404 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoic acid
Also Known As: alpha,alpha-Dimethyl-2-((2-methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoic acid, 2-((2-Methoxyphenoxy)methyl)-alpha,alpha-dimethyl-beta-oxo-1,3-thiazolidine-3-propionic acid, 3-Thiazolidinepropanoic acid, alpha,alpha-dimethyl-2-((2-methoxyphenoxy)methyl)-beta-oxo-, 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-dimethyl-3-oxopropanoic acid, 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2,2-di
| Molecular Formula | C16H21NO5S |
| Molecular Weight | 339.11404 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.11404 Da |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
| SMILES | CC(C)(C(=O)N1CCSC1COC2=CC=CC=C2OC)C(=O)O |
| InChIKey | ZAXOTPWRDKTQQT-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha,alpha-Dimethyl-2-((2-methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha,alpha-Dimethyl-2-((2-methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoic acid. Following Lipinski's Rule of Five, alpha,alpha-Dimethyl-2-((2-methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoic acid 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 alpha,alpha-Dimethyl-2-((2-methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoic acid is 161364-70-1.
The molecular formula of alpha,alpha-Dimethyl-2-((2-methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoic acid is C16H21NO5S.
The molecular weight of alpha,alpha-Dimethyl-2-((2-methoxyphenoxy)methyl)-beta-oxo-3-thiazolidinepropanoic acid is 339.11404 g/mol.
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