TL;DR: 1,2-Propanediol, 1,2-bis(4-methoxyphenyl)-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)- (CAS 107659-46-1) is a chemical compound with molecular formula C19H21N3O4 and molecular weight 355.1532 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R)-1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol
Also Known As: 1,2-Propanediol, 1,2-bis(4-methoxyphenyl)-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)-, (1S,2R)-1,2-bis(4-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propane-1,2-diol, (1S,2R)-1,2-Bis(4-methoxyphenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol, 1,2-Propanediol, 1,2-bis(4-methoxyphenyl)-3-(1H-1,2,4-triazol-1-yl)-, rel-(1S,2R)-
| Molecular Formula | C19H21N3O4 |
| Molecular Weight | 355.1532 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 89.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.1532 Da |
| Heavy Atoms | 26 |
| Complexity | 425.0 |
| SMILES | COC1=CC=C(C=C1)[C@@H]([C@](CN2C=NC=N2)(C3=CC=C(C=C3)OC)O)O |
| InChIKey | ZJADLCCOVDWBCP-OALUTQOASA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 1,2-bis(4-methoxyphenyl)-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)-. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Propanediol, 1,2-bis(4-methoxyphenyl)-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)-. Following Lipinski's Rule of Five, 1,2-Propanediol, 1,2-bis(4-methoxyphenyl)-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-methoxyphenyl)-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)- is 107659-46-1.
The molecular formula of 1,2-Propanediol, 1,2-bis(4-methoxyphenyl)-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)- is C19H21N3O4.
The molecular weight of 1,2-Propanediol, 1,2-bis(4-methoxyphenyl)-3-(1H-1,2,4-triazol-1-yl)-, (1S,2R)- is 355.1532 g/mol.
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