TL;DR: 1-((4-Nitrophenyl)sulfanyl-pyrrolidin-1-ylphosphoryl)pyrrolidine (CAS 141930-88-3) is a chemical compound with molecular formula C14H20N3O3PS and molecular weight 341.0963 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-nitrophenyl)sulfanyl-pyrrolidin-1-ylphosphoryl]pyrrolidine
Also Known As: 1-((4-Nitrophenyl)sulfanyl-pyrrolidin-1-ylphosphoryl)pyrrolidine, S-(4-Nitrophenyl) di(pyrrolidin-1-yl)phosphinothioate, 1-[(4-nitrophenyl)sulfanyl-pyrrolidin-1-yl-phosphoryl]pyrrolidine, 1-[(4-nitrophenyl)sulfanyl-pyrrolidin-1-ylphosphoryl]pyrrolidine
| Molecular Formula | C14H20N3O3PS |
| Molecular Weight | 341.0963 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 94.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.0963 Da |
| Heavy Atoms | 22 |
| Complexity | 419.0 |
| SMILES | C1CCN(C1)P(=O)(N2CCCC2)SC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | LQZMKXPIMXSELT-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((4-Nitrophenyl)sulfanyl-pyrrolidin-1-ylphosphoryl)pyrrolidine. The TPSA of 94.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((4-Nitrophenyl)sulfanyl-pyrrolidin-1-ylphosphoryl)pyrrolidine. Following Lipinski's Rule of Five, 1-((4-Nitrophenyl)sulfanyl-pyrrolidin-1-ylphosphoryl)pyrrolidine 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 1-((4-Nitrophenyl)sulfanyl-pyrrolidin-1-ylphosphoryl)pyrrolidine is 141930-88-3.
The molecular formula of 1-((4-Nitrophenyl)sulfanyl-pyrrolidin-1-ylphosphoryl)pyrrolidine is C14H20N3O3PS.
The molecular weight of 1-((4-Nitrophenyl)sulfanyl-pyrrolidin-1-ylphosphoryl)pyrrolidine is 341.0963 g/mol.
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