TL;DR: 3'-N3-4-MeS-ddU (CAS 150018-26-1) is a chemical compound with molecular formula C10H13N5O3S and molecular weight 283.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-methylsulfanylpyrimidin-2-one
Also Known As: 3'-N3-4-MeS-ddU, 3'-Azido-2',3'-dideoxy-4-methylthiouridine, 3'-Azido-2',3'-dideoxy-4-S-methyl-4-thiouridine, uridine, 3'-azido-2',3'-dideoxy-4-S-methyl-4-thio-, 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-methylsulfanylpyrimidin-2-one
| Molecular Formula | C10H13N5O3S |
| Molecular Weight | 283.0739 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.0739 Da |
| Heavy Atoms | 19 |
| Complexity | 474.0 |
| SMILES | CSC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] |
| InChIKey | AUHBPPJALZLJQZ-LKEWCRSYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-N3-4-MeS-ddU. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-N3-4-MeS-ddU. Following Lipinski's Rule of Five, 3'-N3-4-MeS-ddU has 1 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 3'-N3-4-MeS-ddU is 150018-26-1.
The molecular formula of 3'-N3-4-MeS-ddU is C10H13N5O3S.
The molecular weight of 3'-N3-4-MeS-ddU is 283.0739 g/mol.
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