TL;DR: [(1R,3R)-3-Hydroxy-3-(1H-1,2,4-triazol-3-yl)cyclohexyl]phosphonic acid (CAS 148062-48-0) is a chemical compound with molecular formula C8H14N3O4P and molecular weight 247.07219 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,3R)-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)cyclohexyl]phosphonic acid
Also Known As: IRL 1803, [(1R,3R)-3-Hydroxy-3-(1H-1,2,4-triazol-3-yl)cyclohexyl]phosphonic acid, [3-Hydroxy-3-(1H-1,2,4-triazol-3-yl)cyclohexyl]phosphonic acid, [(1R,3R)-3-hydroxy-3-(1H-1,2,4-triazol-5-yl)cyclohexyl]phosphonic acid, [(1S,3S)-3-hydroxy-3-(2H-1,2,4-triazol-3-yl)cyclohexyl]phosphonic Acid
| Molecular Formula | C8H14N3O4P |
| Molecular Weight | 247.07219 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.07219 Da |
| Heavy Atoms | 16 |
| Complexity | 310.0 |
| SMILES | C1C[C@H](C[C@](C1)(C2=NC=NN2)O)P(=O)(O)O |
| InChIKey | YESMZYJHWDFHDH-HTRCEHHLSA-N |
The XLogP value of -1.6 indicates that [(1R,3R)-3-Hydroxy-3-(1H-1,2,4-triazol-3-yl)cyclohexyl]phosphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1R,3R)-3-Hydroxy-3-(1H-1,2,4-triazol-3-yl)cyclohexyl]phosphonic acid. Following Lipinski's Rule of Five, [(1R,3R)-3-Hydroxy-3-(1H-1,2,4-triazol-3-yl)cyclohexyl]phosphonic acid 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 [(1R,3R)-3-Hydroxy-3-(1H-1,2,4-triazol-3-yl)cyclohexyl]phosphonic acid is 148062-48-0.
The molecular formula of [(1R,3R)-3-Hydroxy-3-(1H-1,2,4-triazol-3-yl)cyclohexyl]phosphonic acid is C8H14N3O4P.
The molecular weight of [(1R,3R)-3-Hydroxy-3-(1H-1,2,4-triazol-3-yl)cyclohexyl]phosphonic acid is 247.07219 g/mol.
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