TL;DR: RefChem:371218 (CAS 63717-19-1) is a chemical compound with molecular formula C13H32N4O4P2S and molecular weight 402.16196 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[2-[methoxy(morpholin-4-yl)phosphoryl]sulfanylethylamino]-(propylamino)phosphoryl]propan-1-amine
Also Known As: O-Methyl S-(dipropylaminophosphoramido)ethyl phosphoromorpholinothioate, Phosphoromorpholinothioic acid, O-methyl S-(dipropylaminophosphoramido)ethyl ester, s-(2-{[bis(propylamino)phosphoryl]amino}ethyl) o-methyl morpholin-4-ylphosphonothioate, 2-[(2-Diethylamino-ethylamino)-methyl]-3-(2-hydroxy-ethyl)-chinuclidin, N-[[2-[methoxy(morpholin-4-yl)phosphoryl]sulfanylethylamino]-(propylamino)phosphoryl]propan-1-amine
| Molecular Formula | C13H32N4O4P2S |
| Molecular Weight | 402.16196 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 402.16196 Da |
| Heavy Atoms | 24 |
| Complexity | 426.0 |
| SMILES | CCCNP(=O)(NCCC)NCCSP(=O)(N1CCOCC1)OC |
| InChIKey | VZBYWKDRWCZNOW-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:371218. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:371218. Following Lipinski's Rule of Five, RefChem:371218 has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:371218 is 63717-19-1.
The molecular formula of RefChem:371218 is C13H32N4O4P2S.
The molecular weight of RefChem:371218 is 402.16196 g/mol.
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