TL;DR: (2R,3S)-3,4-dimethyl-2-phenyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol (CAS 107680-14-8) is a chemical compound with molecular formula C15H21N3O2 and molecular weight 275.1634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S)-3,4-dimethyl-2-phenyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol
Also Known As: (2R,3S)-3,4-dimethyl-2-phenyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol, 1,2-Propanediol, 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-1-(2-thienyl)-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)-, 2,3-Pentanediol,3,4-dimethyl-2-phenyl-1-(1H-1,2,4-triazol-1-yl)-,(R*,S*)-(9CI), 2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-1-thiophen-2-yl-3-(1,2,4-triazol-1-yl)propane-1,2-diol
| Molecular Formula | C15H21N3O2 |
| Molecular Weight | 275.1634 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.1634 Da |
| Heavy Atoms | 20 |
| Complexity | 320.0 |
| SMILES | CC(C)[C@@](C)([C@](CN1C=NC=N1)(C2=CC=CC=C2)O)O |
| InChIKey | VNTGMFGJTXXJQY-GJZGRUSLSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,3S)-3,4-dimethyl-2-phenyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,3S)-3,4-dimethyl-2-phenyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol. Following Lipinski's Rule of Five, (2R,3S)-3,4-dimethyl-2-phenyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol has 2 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 (2R,3S)-3,4-dimethyl-2-phenyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol is 107680-14-8.
The molecular formula of (2R,3S)-3,4-dimethyl-2-phenyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol is C15H21N3O2.
The molecular weight of (2R,3S)-3,4-dimethyl-2-phenyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol is 275.1634 g/mol.
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