TL;DR: 1,2-Propanediol, 1,2-bis(4-fluorophenyl)-1-phenyl-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)- (CAS 107680-01-3) is a chemical compound with molecular formula C23H19F2N3O2 and molecular weight 407.14453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R)-1,2-bis(4-fluorophenyl)-1-phenyl-3-(1,2,4-triazol-1-yl)propane-1,2-diol
Also Known As: 1,2-Propanediol, 1,2-bis(4-fluorophenyl)-1-phenyl-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)-, (1S,2R)-1,2-bis(4-fluorophenyl)-1-phenyl-3-(1,2,4-triazol-1-yl)propane-1,2-diol, (1S,2R)-1,2-Bis(4-fluorophenyl)-1-phenyl-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol, 1,2-Propanediol, 1,2-bis(4-fluorophenyl)-1-phenyl-3-(1H-1,2,4-triazol-1-yl)-, rel-(1S,2R)-
| Molecular Formula | C23H19F2N3O2 |
| Molecular Weight | 407.14453 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.14453 Da |
| Heavy Atoms | 30 |
| Complexity | 549.0 |
| SMILES | C1=CC=C(C=C1)[C@](C2=CC=C(C=C2)F)([C@](CN3C=NC=N3)(C4=CC=C(C=C4)F)O)O |
| InChIKey | OTPWVHQERYFQFE-GOTSBHOMSA-N |
The XLogP value of 3.0 indicates that 1,2-Propanediol, 1,2-bis(4-fluorophenyl)-1-phenyl-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Propanediol, 1,2-bis(4-fluorophenyl)-1-phenyl-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)-. Following Lipinski's Rule of Five, 1,2-Propanediol, 1,2-bis(4-fluorophenyl)-1-phenyl-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)- 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 1,2-Propanediol, 1,2-bis(4-fluorophenyl)-1-phenyl-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)- is 107680-01-3.
The molecular formula of 1,2-Propanediol, 1,2-bis(4-fluorophenyl)-1-phenyl-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)- is C23H19F2N3O2.
The molecular weight of 1,2-Propanediol, 1,2-bis(4-fluorophenyl)-1-phenyl-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)- is 407.14453 g/mol.
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