TL;DR: 1,3-Dioxolan-2-one, 4-(4-chlorophenyl)-5-propyl-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- (CAS 107659-82-5) is a chemical compound with molecular formula C15H16ClN3O3 and molecular weight 321.088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S,5R)-4-(4-chlorophenyl)-5-propyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one
Also Known As: 1,3-Dioxolan-2-one, 4-(4-chlorophenyl)-5-propyl-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-, (4S,5R)-4-(4-chlorophenyl)-5-propyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one, (4S,5R)-4-(4-Chlorophenyl)-5-propyl-4-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-2-one, 1,3-Dioxolan-2-one, 4-(4-chlorophenyl)-5-propyl-4-(1H-1,2,4-triazol-1-ylmethyl)-, rel-(4S,5R)-, 1,3-Dioxolan-2-one,4-(4-chlorophenyl)-5-propyl-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4R,5S)-rel-
| Molecular Formula | C15H16ClN3O3 |
| Molecular Weight | 321.088 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.088 Da |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
| SMILES | CCC[C@@H]1[C@@](OC(=O)O1)(CN2C=NC=N2)C3=CC=C(C=C3)Cl |
| InChIKey | JEZLUVLJQUQTJY-UKRRQHHQSA-N |
The XLogP value of 3.3 indicates that 1,3-Dioxolan-2-one, 4-(4-chlorophenyl)-5-propyl-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxolan-2-one, 4-(4-chlorophenyl)-5-propyl-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-. Following Lipinski's Rule of Five, 1,3-Dioxolan-2-one, 4-(4-chlorophenyl)-5-propyl-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- has 0 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 1,3-Dioxolan-2-one, 4-(4-chlorophenyl)-5-propyl-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- is 107659-82-5.
The molecular formula of 1,3-Dioxolan-2-one, 4-(4-chlorophenyl)-5-propyl-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- is C15H16ClN3O3.
The molecular weight of 1,3-Dioxolan-2-one, 4-(4-chlorophenyl)-5-propyl-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- is 321.088 g/mol.
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