TL;DR: L-Proline, 1-((methylthio)-1-pyrrolidinylphosphinyl)-, ethyl ester, (S)- (CAS 137090-20-1) is a chemical compound with molecular formula C12H23N2O3PS and molecular weight 306.1167 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2S)-1-[methylsulfanyl(pyrrolidin-1-yl)phosphoryl]pyrrolidine-2-carboxylate
Also Known As: L-Proline, 1-((methylthio)-1-pyrrolidinylphosphinyl)-, ethyl ester, (S)-, Ethyl (2S)-1-(methylsulfanyl-pyrrolidin-1-yl-phosphoryl)pyrrolidine-2-carboxylate, Ethyl 1-[(methylsulfanyl)(pyrrolidin-1-yl)phosphoryl]prolinate, (2S)-Ethyl 1-((methylthio)(pyrrolidin-1-yl)phosphoryl)pyrrolidine-2-carboxylate, ethyl (2S)-1-[methylsulfanyl(pyrrolidin-1-yl)phosphoryl]pyrrolidine-2-carboxylate
| Molecular Formula | C12H23N2O3PS |
| Molecular Weight | 306.1167 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 75.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.1167 Da |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
| SMILES | CCOC(=O)[C@@H]1CCCN1P(=O)(N2CCCC2)SC |
| InChIKey | HQIMAHNKQPDYJH-FAQQKDIKSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Proline, 1-((methylthio)-1-pyrrolidinylphosphinyl)-, ethyl ester, (S)-. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Proline, 1-((methylthio)-1-pyrrolidinylphosphinyl)-, ethyl ester, (S)-. Following Lipinski's Rule of Five, L-Proline, 1-((methylthio)-1-pyrrolidinylphosphinyl)-, ethyl ester, (S)- has 0 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 L-Proline, 1-((methylthio)-1-pyrrolidinylphosphinyl)-, ethyl ester, (S)- is 137090-20-1.
The molecular formula of L-Proline, 1-((methylthio)-1-pyrrolidinylphosphinyl)-, ethyl ester, (S)- is C12H23N2O3PS.
The molecular weight of L-Proline, 1-((methylthio)-1-pyrrolidinylphosphinyl)-, ethyl ester, (S)- is 306.1167 g/mol.
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