TL;DR: Uridine, 2',3'-dideoxy-2'-(hexahydro-1H-azepin-1-yl)-5-methyl- (CAS 134935-11-8) is a chemical compound with molecular formula C16H25N3O4 and molecular weight 323.1845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,3R,5S)-3-(azepan-1-yl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 2'HexaCH2imino-dT, 2'-Hexamethyleneimino-3'-deoxythymidine, 2'-(Azepan-1-yl)-3'-deoxythymidine, Uridine, 2',3'-dideoxy-2'-(hexahydro-1H-azepin-1-yl)-5-methyl-, 1-[(2R,3R,5S)-3-(azepan-1-yl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
| Molecular Formula | C16H25N3O4 |
| Molecular Weight | 323.1845 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.1845 Da |
| Heavy Atoms | 23 |
| Complexity | 500.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)CO)N3CCCCCC3 |
| InChIKey | HPLKCFGKGZMNSE-GZBFAFLISA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Uridine, 2',3'-dideoxy-2'-(hexahydro-1H-azepin-1-yl)-5-methyl-. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Uridine, 2',3'-dideoxy-2'-(hexahydro-1H-azepin-1-yl)-5-methyl-. Following Lipinski's Rule of Five, Uridine, 2',3'-dideoxy-2'-(hexahydro-1H-azepin-1-yl)-5-methyl- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Uridine, 2',3'-dideoxy-2'-(hexahydro-1H-azepin-1-yl)-5-methyl- is 134935-11-8.
The molecular formula of Uridine, 2',3'-dideoxy-2'-(hexahydro-1H-azepin-1-yl)-5-methyl- is C16H25N3O4.
The molecular weight of Uridine, 2',3'-dideoxy-2'-(hexahydro-1H-azepin-1-yl)-5-methyl- is 323.1845 g/mol.
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