TL;DR: 2,4(1H,3H)-Pyrimidinedione, 5-ethyl-1-(4-thio-b-D-arabinofuranosyl)- (CAS 135123-32-9) is a chemical compound with molecular formula C11H16N2O5S and molecular weight 288.078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-ethylpyrimidine-2,4-dione
Also Known As: 2,4(1H,3H)-Pyrimidinedione, 5-ethyl-1-(4-thio-b-D-arabinofuranosyl)-, 5-Ethyl-1-(4-thio-, A-D-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione, 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-5-ethyl-pyrimidine-2,4-dione, 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C11H16N2O5S |
| Molecular Weight | 288.078 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.078 Da |
| Heavy Atoms | 19 |
| Complexity | 427.0 |
| SMILES | CCC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](S2)CO)O)O |
| InChIKey | GLNMEPIIMNFBGH-BDNRQGISSA-N |
The XLogP value of -0.7 indicates that 2,4(1H,3H)-Pyrimidinedione, 5-ethyl-1-(4-thio-b-D-arabinofuranosyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4(1H,3H)-Pyrimidinedione, 5-ethyl-1-(4-thio-b-D-arabinofuranosyl)-. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, 5-ethyl-1-(4-thio-b-D-arabinofuranosyl)- has 4 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 2,4(1H,3H)-Pyrimidinedione, 5-ethyl-1-(4-thio-b-D-arabinofuranosyl)- is 135123-32-9.
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, 5-ethyl-1-(4-thio-b-D-arabinofuranosyl)- is C11H16N2O5S.
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, 5-ethyl-1-(4-thio-b-D-arabinofuranosyl)- is 288.078 g/mol.
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