TL;DR: MeOCOPentNHPO3(Et)AZT (CAS 134250-30-9) is a chemical compound with molecular formula C19H31N6O8P and molecular weight 502.1941 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]amino]hexanoate
Also Known As: MeOCOPentNHPO3(Et)AZT, 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxy-6-aminocaproyl)phosphoramidate, methyl 6-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-ethoxy-phosphoryl]amino]hexanoate, Thymidine, 3'-azido-3'-deoxy-, 5'-[ethyl (6-methoxy-6-oxohexyl)phosphoramidate], -, 1-(3-Azido-2,3-dideoxy-5-O-{ethoxy[(6-methoxy-6-oxohexyl)amino]phosphoryl}-beta-D-erythro-pentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one
| Molecular Formula | C19H31N6O8P |
| Molecular Weight | 502.1941 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 502.1941 Da |
| Heavy Atoms | 34 |
| Complexity | 877.0 |
| SMILES | CCOP(=O)(NCCCCCC(=O)OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-] |
| InChIKey | AGFGADMNSNLHRQ-MGWFWUSASA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MeOCOPentNHPO3(Et)AZT. The TPSA of 147.0 Ų indicates high polarity, suggesting MeOCOPentNHPO3(Et)AZT may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, MeOCOPentNHPO3(Et)AZT has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of MeOCOPentNHPO3(Et)AZT is 134250-30-9.
The molecular formula of MeOCOPentNHPO3(Et)AZT is C19H31N6O8P.
The molecular weight of MeOCOPentNHPO3(Et)AZT is 502.1941 g/mol.
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