TL;DR: 2,3-Butanediol, 2,3-bis(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)- (CAS 107679-98-1) is a chemical compound with molecular formula C18H17F2N3O2 and molecular weight 345.12888 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R)-2,3-bis(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)butane-2,3-diol
Also Known As: 2,3-Butanediol, 2,3-bis(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-, (2R,3R)-2,3-bis(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)butane-2,3-diol, (2R,3R)-2,3-Bis(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol, 2,3-Butanediol, 2,3-bis(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, rel-(2R,3R)-
| Molecular Formula | C18H17F2N3O2 |
| Molecular Weight | 345.12888 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.12888 Da |
| Heavy Atoms | 25 |
| Complexity | 442.0 |
| SMILES | C[C@@](C1=CC=C(C=C1)F)([C@](CN2C=NC=N2)(C3=CC=C(C=C3)F)O)O |
| InChIKey | WYZBSOZDBDRPSQ-MSOLQXFVSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Butanediol, 2,3-bis(4-fluorophenyl)-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-Butanediol, 2,3-bis(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-. Following Lipinski's Rule of Five, 2,3-Butanediol, 2,3-bis(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)- has 2 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 2,3-Butanediol, 2,3-bis(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)- is 107679-98-1.
The molecular formula of 2,3-Butanediol, 2,3-bis(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)- is C18H17F2N3O2.
The molecular weight of 2,3-Butanediol, 2,3-bis(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)- is 345.12888 g/mol.
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