TL;DR: 1,3-Dioxolan-2-one, 4-(2-chlorophenyl)-5-(4-methylphenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- (CAS 107659-78-9) is a chemical compound with molecular formula C19H16ClN3O3 and molecular weight 369.088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S,5R)-4-(2-chlorophenyl)-5-(4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one
Also Known As: 1,3-Dioxolan-2-one, 4-(2-chlorophenyl)-5-(4-methylphenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-, (4S,5R)-4-(2-chlorophenyl)-5-(4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one, (4S,5R)-4-(2-Chlorophenyl)-5-(4-methylphenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-2-one, (4S,5R)-4-(2-chlorophenyl)-5-(p-tolyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one, 1,3-Dioxolan-2-one, 4-(2-chlorophenyl)-5-(4-methylphenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, rel-(4S,5R)-
| Molecular Formula | C19H16ClN3O3 |
| Molecular Weight | 369.088 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.088 Da |
| Heavy Atoms | 26 |
| Complexity | 514.0 |
| SMILES | CC1=CC=C(C=C1)[C@@H]2[C@@](OC(=O)O2)(CN3C=NC=N3)C4=CC=CC=C4Cl |
| InChIKey | FSNIDGWRLPJZGU-IEBWSBKVSA-N |
The XLogP value of 3.9 indicates that 1,3-Dioxolan-2-one, 4-(2-chlorophenyl)-5-(4-methylphenyl)-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-(2-chlorophenyl)-5-(4-methylphenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-. Following Lipinski's Rule of Five, 1,3-Dioxolan-2-one, 4-(2-chlorophenyl)-5-(4-methylphenyl)-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-(2-chlorophenyl)-5-(4-methylphenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- is 107659-78-9.
The molecular formula of 1,3-Dioxolan-2-one, 4-(2-chlorophenyl)-5-(4-methylphenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- is C19H16ClN3O3.
The molecular weight of 1,3-Dioxolan-2-one, 4-(2-chlorophenyl)-5-(4-methylphenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- is 369.088 g/mol.
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