TL;DR: 2-HOCH2-4-C-tetraHthiophene (CAS 142941-62-6) is a chemical compound with molecular formula C9H13N3O2S and molecular weight 227.07285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-1-[(3R,5R)-5-(hydroxymethyl)thiolan-3-yl]pyrimidin-2-one
Also Known As: 2-HOCH2-4-C-tetraHthiophene, 2-Hydroxymethyl-4-(1H-cytosin-1-yl)-tetrahydrothiophene, L-threo-Pentitol, 2-(4-amino-2-oxo-1(2H)-pyrimidinyl)-1,2,3,4-tetradeoxy-1,4-epithio-, 4-amino-1-[(3R,5R)-5-(hydroxymethyl)thiolan-3-yl]pyrimidin-2-one, 1-[[(2R)-Tetrahydro-2beta-(hydroxymethyl)thiophen]-4beta-yl]-4-aminopyrimidin-2(1H)-one
| Molecular Formula | C9H13N3O2S |
| Molecular Weight | 227.07285 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.07285 Da |
| Heavy Atoms | 15 |
| Complexity | 329.0 |
| SMILES | C1[C@H](CS[C@H]1CO)N2C=CC(=NC2=O)N |
| InChIKey | VZFZUTKQULGQJM-RNFRBKRXSA-N |
The XLogP value of -0.6 indicates that 2-HOCH2-4-C-tetraHthiophene is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-HOCH2-4-C-tetraHthiophene. Following Lipinski's Rule of Five, 2-HOCH2-4-C-tetraHthiophene has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-HOCH2-4-C-tetraHthiophene is 142941-62-6.
The molecular formula of 2-HOCH2-4-C-tetraHthiophene is C9H13N3O2S.
The molecular weight of 2-HOCH2-4-C-tetraHthiophene is 227.07285 g/mol.
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