TL;DR: 2,3-Butanediol, 2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)- (CAS 107680-17-1) is a chemical compound with molecular formula C18H17ClFN3O2 and molecular weight 361.09933 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S)-2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)butane-2,3-diol
Also Known As: 2,3-Butanediol, 2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)-, (2R,3S)-2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)butane-2,3-diol, 2-(2-Chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol, (2R,3S)-2-(2-Chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol, 2,3-Butanediol, 2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, rel-(2R,3S)-
| Molecular Formula | C18H17ClFN3O2 |
| Molecular Weight | 361.09933 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.09933 Da |
| Heavy Atoms | 25 |
| Complexity | 452.0 |
| SMILES | C[C@](C1=CC=C(C=C1)F)([C@](CN2C=NC=N2)(C3=CC=CC=C3Cl)O)O |
| InChIKey | ABSJHJJNVMBAHU-ROUUACIJSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Butanediol, 2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)-. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Butanediol, 2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)-. Following Lipinski's Rule of Five, 2,3-Butanediol, 2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,3-Butanediol, 2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)- is 107680-17-1.
The molecular formula of 2,3-Butanediol, 2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)- is C18H17ClFN3O2.
The molecular weight of 2,3-Butanediol, 2-(2-chlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)- is 361.09933 g/mol.
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