TL;DR: 2,3-Pentanediol, 4-methyl-2-(4-chlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)- (CAS 107659-57-4) is a chemical compound with molecular formula C14H18ClN3O2 and molecular weight 295.10876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R)-2-(4-chlorophenyl)-4-methyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol
Also Known As: 2,3-Pentanediol, 4-methyl-2-(4-chlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-, (2R,3R)-2-(4-chlorophenyl)-4-methyl-1-(1,2,4-triazol-1-yl)pentane-2,3-diol, (2R,3R)-2-(4-Chlorophenyl)-4-methyl-1-(1H-1,2,4-triazol-1-yl)pentane-2,3-diol, 2,3-Pentanediol, 4-methyl-2-(4-chlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, rel-(2R,3R)-
| Molecular Formula | C14H18ClN3O2 |
| Molecular Weight | 295.10876 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.10876 Da |
| Heavy Atoms | 20 |
| Complexity | 311.0 |
| SMILES | CC(C)[C@H]([C@](CN1C=NC=N1)(C2=CC=C(C=C2)Cl)O)O |
| InChIKey | YFOSESWIEOHSDT-KGLIPLIRSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Pentanediol, 4-methyl-2-(4-chlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Pentanediol, 4-methyl-2-(4-chlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-. Following Lipinski's Rule of Five, 2,3-Pentanediol, 4-methyl-2-(4-chlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)- 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 2,3-Pentanediol, 4-methyl-2-(4-chlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)- is 107659-57-4.
The molecular formula of 2,3-Pentanediol, 4-methyl-2-(4-chlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)- is C14H18ClN3O2.
The molecular weight of 2,3-Pentanediol, 4-methyl-2-(4-chlorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)- is 295.10876 g/mol.
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