TL;DR: Thymidine, 3'-deoxy-3'-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)- (CAS 131673-39-7) is a chemical compound with molecular formula C14H19N5O4 and molecular weight 321.1437 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,4S,5S)-4-(4,5-dimethyltriazol-1-yl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 3'-(DiMeTriazol)dT, Thymidine, 3'-deoxy-3'-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)-, 3'-Deoxy-3'-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)thymidine, 3 -(4,5-Dimethyl-1H-1,2,3-triazol-1-yl)-3 -deoxythymidine, 1-[(2R,4S,5S)-4-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C14H19N5O4 |
| Molecular Weight | 321.1437 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.1437 Da |
| Heavy Atoms | 23 |
| Complexity | 539.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N3C(=C(N=N3)C)C |
| InChIKey | QXCIWWNXTTYTCQ-QJPTWQEYSA-N |
The XLogP value of -0.7 indicates that Thymidine, 3'-deoxy-3'-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, 3'-deoxy-3'-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)-. Following Lipinski's Rule of Five, Thymidine, 3'-deoxy-3'-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)- has 2 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 Thymidine, 3'-deoxy-3'-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)- is 131673-39-7.
The molecular formula of Thymidine, 3'-deoxy-3'-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)- is C14H19N5O4.
The molecular weight of Thymidine, 3'-deoxy-3'-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)- is 321.1437 g/mol.
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