TL;DR: Phosphorothioic acid, O,O-dipropyl S-(O',O'-dipropylphosphoramido)ethyl ester (CAS 23497-23-6) is a chemical compound with molecular formula C14H33NO6P2S and molecular weight 405.1504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-dipropoxyphosphoryl-2-dipropoxyphosphorylsulfanylethanamine
Also Known As: PhosphorothioicacidS-[2- ethyl]O,O-dipropylester, s-{2-[(dipropoxyphosphoryl)amino]ethyl} o,o-dipropyl phosphorothioate, Phosphoramidic acid, N-(O',O'-dipropylphosphorothio)ethyl-, O,O-dipropyl ester, Phosphorothioic acid, O,O-dipropyl S-(O',O'-dipropylphosphoramido)ethyl ester, N-dipropoxyphosphoryl-2-dipropoxyphosphorylsulfanylethanamine
| Molecular Formula | C14H33NO6P2S |
| Molecular Weight | 405.1504 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 405.1504 Da |
| Heavy Atoms | 24 |
| Complexity | 375.0 |
| SMILES | CCCOP(=O)(NCCSP(=O)(OCCC)OCCC)OCCC |
| InChIKey | XCKLLXVLRBVDKH-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-dipropyl S-(O',O'-dipropylphosphoramido)ethyl ester. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-dipropyl S-(O',O'-dipropylphosphoramido)ethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dipropyl S-(O',O'-dipropylphosphoramido)ethyl ester has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phosphorothioic acid, O,O-dipropyl S-(O',O'-dipropylphosphoramido)ethyl ester is 23497-23-6.
The molecular formula of Phosphorothioic acid, O,O-dipropyl S-(O',O'-dipropylphosphoramido)ethyl ester is C14H33NO6P2S.
The molecular weight of Phosphorothioic acid, O,O-dipropyl S-(O',O'-dipropylphosphoramido)ethyl ester is 405.1504 g/mol.
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