TL;DR: 5'MeOLeuPO3(Et) AZT (CAS 133201-16-8) 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 (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]amino]-4-methylpentanoate
Also Known As: 5'MeOLeuPO3(Et) AZT, 3'-Azido-3'-deoxythymidine-5'-(ethyl methoxyleucinyl)phosphate, L-Leucine, N-(3'-azido-3'-deoxy-P-ethyl-5'-thymidylyl)-, methyl ester, (R)-, methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-ethoxy-phosphoryl]amino]-4-methyl-pentanoate, methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]amino]-4-methylpentanoate
| Molecular Formula | C19H31N6O8P |
| Molecular Weight | 502.1941 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 502.1941 Da |
| Heavy Atoms | 34 |
| Complexity | 905.0 |
| SMILES | CCOP(=O)(N[C@@H](CC(C)C)C(=O)OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-] |
| InChIKey | WNYNDJOOLKDZMN-LCMCJYAASA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'MeOLeuPO3(Et) AZT. The TPSA of 147.0 Ų indicates high polarity, suggesting 5'MeOLeuPO3(Et) AZT may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'MeOLeuPO3(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 5'MeOLeuPO3(Et) AZT is 133201-16-8.
The molecular formula of 5'MeOLeuPO3(Et) AZT is C19H31N6O8P.
The molecular weight of 5'MeOLeuPO3(Et) AZT is 502.1941 g/mol.
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