TL;DR: 1-(t-2,t-3-Dihydroxymethyl-r-1-cyclopropyl)thymine (CAS 132487-15-1) is a chemical compound with molecular formula C10H14N2O4 and molecular weight 226.09535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,3S)-2,3-bis(hydroxymethyl)cyclopropyl]-5-methylpyrimidine-2,4-dione
Also Known As: 2,3-diOHCH2CyPrT, 1-(t-2,t-3-Dihydroxymethyl-r-1-cyclopropyl)thymine, J1.040.029E, 2,4(1H,3H)-Pyrimidinedione, 1-(2,3-bis(hydroxymethyl)cyclopropyl)-5-methyl-, (1alpha,2alpha,3beta)-, 1-[(2S,3R)-2,3-Bis(hydroxymethyl)cyclopropane-1beta-yl]thymine
| Molecular Formula | C10H14N2O4 |
| Molecular Weight | 226.09535 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.09535 Da |
| Heavy Atoms | 16 |
| Complexity | 356.0 |
| SMILES | CC1=CN(C(=O)NC1=O)C2[C@@H]([C@@H]2CO)CO |
| InChIKey | XESNPUIEMJHYRT-DHBOJHSNSA-N |
The XLogP value of -1.4 indicates that 1-(t-2,t-3-Dihydroxymethyl-r-1-cyclopropyl)thymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(t-2,t-3-Dihydroxymethyl-r-1-cyclopropyl)thymine. Following Lipinski's Rule of Five, 1-(t-2,t-3-Dihydroxymethyl-r-1-cyclopropyl)thymine has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(t-2,t-3-Dihydroxymethyl-r-1-cyclopropyl)thymine is 132487-15-1.
The molecular formula of 1-(t-2,t-3-Dihydroxymethyl-r-1-cyclopropyl)thymine is C10H14N2O4.
The molecular weight of 1-(t-2,t-3-Dihydroxymethyl-r-1-cyclopropyl)thymine is 226.09535 g/mol.
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