TL;DR: L-Arabinitol, 3,4-O-carbonyl-4-C-(4-chlorophenyl)-1,2,5-trideoxy-2-methyl-5-(1H-1,2,4-triazol-1-yl)- (CAS 107659-83-6) 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-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one
Also Known As: L-Arabinitol, 3,4-O-carbonyl-4-C-(4-chlorophenyl)-1,2,5-trideoxy-2-methyl-5-(1H-1,2,4-triazol-1-yl)-, (4S,5R)-4-(4-chlorophenyl)-5-isopropyl-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one, (4S,5R)-4-(4-Chlorophenyl)-5-(propan-2-yl)-4-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-2-one, (4S,5R)-4-(4-chlorophenyl)-5-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one, DL-Arabinitol, 3,4-O-carbonyl-4-C-(4-chlorophenyl)-1,2,5-trideoxy-2-methyl-5-(1H-1,2,4-triazol-1-yl)-
| Molecular Formula | C15H16ClN3O3 |
| Molecular Weight | 321.088 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.088 Da |
| Heavy Atoms | 22 |
| Complexity | 415.0 |
| SMILES | CC(C)[C@@H]1[C@@](OC(=O)O1)(CN2C=NC=N2)C3=CC=C(C=C3)Cl |
| InChIKey | CUSPALNPQMWUGZ-UKRRQHHQSA-N |
The XLogP value of 3.4 indicates that L-Arabinitol, 3,4-O-carbonyl-4-C-(4-chlorophenyl)-1,2,5-trideoxy-2-methyl-5-(1H-1,2,4-triazol-1-yl)- 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 L-Arabinitol, 3,4-O-carbonyl-4-C-(4-chlorophenyl)-1,2,5-trideoxy-2-methyl-5-(1H-1,2,4-triazol-1-yl)-. Following Lipinski's Rule of Five, L-Arabinitol, 3,4-O-carbonyl-4-C-(4-chlorophenyl)-1,2,5-trideoxy-2-methyl-5-(1H-1,2,4-triazol-1-yl)- 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 L-Arabinitol, 3,4-O-carbonyl-4-C-(4-chlorophenyl)-1,2,5-trideoxy-2-methyl-5-(1H-1,2,4-triazol-1-yl)- is 107659-83-6.
The molecular formula of L-Arabinitol, 3,4-O-carbonyl-4-C-(4-chlorophenyl)-1,2,5-trideoxy-2-methyl-5-(1H-1,2,4-triazol-1-yl)- is C15H16ClN3O3.
The molecular weight of L-Arabinitol, 3,4-O-carbonyl-4-C-(4-chlorophenyl)-1,2,5-trideoxy-2-methyl-5-(1H-1,2,4-triazol-1-yl)- is 321.088 g/mol.
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