TL;DR: (1R)-1-Carboxy-2-(methylthio)ethyl (2S)-3-mercapto-2-methylpropanoic acid (CAS 140369-78-4) is a chemical compound with molecular formula C8H14O4S2 and molecular weight 238.03336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-3-methylsulfanyl-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxypropanoic acid
Also Known As: Fpl 66564, (R)-2-(3-Mercapto-2(S)-methyl-1-oxopropoxy)-3-(methylthio)propanoic acid, (2R)-3-methylsulfanyl-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxypropanoic acid, Propanoic acid, 3-mercapto-2-methyl-, (1R)-1-carboxy-2-(methylthio)ethyl ester, (2S)-, (1R)-1-Carboxy-2-(methylthio)ethyl (2S)-3-mercapto-2-methylpropanoic acid
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H14O4S2 |
| Molecular Weight | 238.03336 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 238.03336 Da |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
| SMILES | C[C@H](CS)C(=O)O[C@@H](CSC)C(=O)O |
| InChIKey | LFBBWVTUUAFKIO-RITPCOANSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R)-1-Carboxy-2-(methylthio)ethyl (2S)-3-mercapto-2-methylpropanoic acid. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R)-1-Carboxy-2-(methylthio)ethyl (2S)-3-mercapto-2-methylpropanoic acid. Following Lipinski's Rule of Five, (1R)-1-Carboxy-2-(methylthio)ethyl (2S)-3-mercapto-2-methylpropanoic acid has 2 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 (1R)-1-Carboxy-2-(methylthio)ethyl (2S)-3-mercapto-2-methylpropanoic acid is 140369-78-4.
The molecular formula of (1R)-1-Carboxy-2-(methylthio)ethyl (2S)-3-mercapto-2-methylpropanoic acid is C8H14O4S2.
The molecular weight of (1R)-1-Carboxy-2-(methylthio)ethyl (2S)-3-mercapto-2-methylpropanoic acid is 238.03336 g/mol.
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