TL;DR: 2-((3-((Acetylthio)acetyl)-2-thiazolidinyl)methoxy)phenyl (acetylthio)acetate (CAS 103195-88-6) is a chemical compound with molecular formula C18H21NO6S3 and molecular weight 443.0531 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[[3-(2-acetylsulfanylacetyl)-1,3-thiazolidin-2-yl]methoxy]phenyl] 2-acetylsulfanylacetate
Also Known As: 2-((3-((Acetylthio)acetyl)-2-thiazolidinyl)methoxy)phenyl (acetylthio)acetate, Acetic acid, (acetylthio)-, 2-((3-((acetylthio)acetyl)-2-thiazolidinyl)methoxy)phenyl ester, 2-({3-[(Acetylsulfanyl)acetyl]-1,3-thiazolidin-2-yl}methoxy)phenyl (acetylsulfanyl)acetate, [2-[[3-(2-acetylsulfanylacetyl)-1,3-thiazolidin-2-yl]methoxy]phenyl] 2-acetylsulfanylacetate
| Molecular Formula | C18H21NO6S3 |
| Molecular Weight | 443.0531 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 443.0531 Da |
| Heavy Atoms | 28 |
| Complexity | 588.0 |
| SMILES | CC(=O)SCC(=O)N1CCSC1COC2=CC=CC=C2OC(=O)CSC(=O)C |
| InChIKey | JNPDZGPJDABVAB-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-((Acetylthio)acetyl)-2-thiazolidinyl)methoxy)phenyl (acetylthio)acetate. The TPSA of 166.0 Ų indicates high polarity, suggesting 2-((3-((Acetylthio)acetyl)-2-thiazolidinyl)methoxy)phenyl (acetylthio)acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((3-((Acetylthio)acetyl)-2-thiazolidinyl)methoxy)phenyl (acetylthio)acetate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-((3-((Acetylthio)acetyl)-2-thiazolidinyl)methoxy)phenyl (acetylthio)acetate is 103195-88-6.
The molecular formula of 2-((3-((Acetylthio)acetyl)-2-thiazolidinyl)methoxy)phenyl (acetylthio)acetate is C18H21NO6S3.
The molecular weight of 2-((3-((Acetylthio)acetyl)-2-thiazolidinyl)methoxy)phenyl (acetylthio)acetate is 443.0531 g/mol.
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