TL;DR: RefChem:340234 (CAS 161364-88-1) is a chemical compound with molecular formula C16H21NO4S and molecular weight 323.11914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]-2-oxoethyl] ethanethioate
Also Known As: Ethanethioic acid, S-(2-(2-((2-methoxyphenoxy)methyl)-1-pyrrolidinyl)-2-oxoethyl) ester, (S)-, (S)-(-)-2-((2-Methoxyphenoxy)methyl)-3-(2-(acetylthio)acetyl)pyrrolidine, S-[2-[(2S)-2-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]-2-oxoethyl] ethanethioate, S-(2-{(2S)-2-[(2-Methoxyphenoxy)methyl]pyrrolidin-1-yl}-2-oxoethyl) ethanethioate, Ethanethioic acid, S-(2-(2-((2-methoxyphenoxy)methyl)-1-pyrrolidinyl)-2-oxoethyl) ester, (R)-
| Molecular Formula | C16H21NO4S |
| Molecular Weight | 323.11914 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.11914 Da |
| Heavy Atoms | 22 |
| Complexity | 390.0 |
| SMILES | CC(=O)SCC(=O)N1CCC[C@H]1COC2=CC=CC=C2OC |
| InChIKey | ARYIGUABCXSPSO-ZDUSSCGKSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:340234. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:340234. Following Lipinski's Rule of Five, RefChem:340234 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 RefChem:340234 is 161364-88-1.
The molecular formula of RefChem:340234 is C16H21NO4S.
The molecular weight of RefChem:340234 is 323.11914 g/mol.
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