1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-
TL;DR: 1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- (CAS 107679-93-6) is a chemical compound with molecular formula C18H12Cl2FN3O2S and molecular weight 423.00113 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-dioxolane-2-thione
Also Known As: 1,3-Dioxolane-2-thione, 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-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-2-thione, (4S,5R)-4-(2,4-Dichlorophenyl)-5-(4-fluorophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolane-2-thione, (4S,5R)-5-(4-CHLOROPHENYL)-4-(2,4-DICHLOROPHENYL)-4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-1,3-DIOXOLAN-2-ONE, 1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, rel-(4S,5R)-
Technical Specifications
| Molecular Formula | C18H12Cl2FN3O2S |
| Molecular Weight | 423.00113 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 81.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.00113 Da |
| Heavy Atoms | 27 |
| Complexity | 555.0 |
| SMILES | C1=CC(=CC=C1[C@@H]2[C@@](OC(=S)O2)(CN3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl)F |
| InChIKey | ZUPCMHBLKUSDDE-SJLPKXTDSA-N |
Chemical Property Profile of 1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-
Property Insights of 1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-
The XLogP value of 4.8 indicates that 1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-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 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-. Following Lipinski's Rule of Five, 1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- 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 1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-?
The CAS number of 1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- is 107679-93-6.
What is the molecular formula of 1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-?
The molecular formula of 1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- is C18H12Cl2FN3O2S.
What is the molecular weight of 1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-?
The molecular weight of 1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- is 423.00113 g/mol.
Where can I buy 1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-?
You can request a quote for 1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-?
Yes, CoreyChem provides custom synthesis services for 1,3-Dioxolane-2-thione, 4-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.