(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one
TL;DR: (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one (CAS 107659-69-8) is a chemical compound with molecular formula C18H12Cl2FN3O3 and molecular weight 407.024 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one
Also Known As: (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one, 1,3-Dioxolan-2-one, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-, (4S,5R)-4-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-2-one, (4S,5R)-5-(4-CHLOROPHENYL)-4-(2,4-DICHLOROPHENYL)-4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-1,3-DIOXOLAN-2-ONE, 1,3-Dioxolan-2-one, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, rel-(4S,5R)-
Technical Specifications
| Molecular Formula | C18H12Cl2FN3O3 |
| Molecular Weight | 407.024 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.024 Da |
| Heavy Atoms | 27 |
| Complexity | 552.0 |
| SMILES | C1=CC(=CC=C1[C@@H]2[C@@](OC(=O)O2)(CN3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl)F |
| InChIKey | XZDCQRVDGXVXAX-SJLPKXTDSA-N |
Chemical Property Profile of (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one
Property Insights of (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one
The XLogP value of 4.2 indicates that (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one 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 (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one. Following Lipinski's Rule of Five, (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one?
The CAS number of (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one is 107659-69-8.
What is the molecular formula of (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one?
The molecular formula of (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one is C18H12Cl2FN3O3.
What is the molecular weight of (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one?
The molecular weight of (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one is 407.024 g/mol.
Where can I buy (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one?
You can request a quote for (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one?
Yes, CoreyChem provides custom synthesis services for (4S,5R)-4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.