Tetraconazole
TL;DR: Tetraconazole (CAS 112281-77-3) is a chemical compound with molecular formula C13H11Cl2F4N3O and molecular weight 371.0215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole
Also Known As: Tetraconazole, Eminent, Domark, thiabendazole, Cafamycin
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H11Cl2F4N3O |
| Molecular Weight | 371.0215 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 371.0215 Da |
| Heavy Atoms | 23 |
| Complexity | 381.0 |
| Melting Point | Pour point 6 °C |
| Boiling Point | Decomposes at 240 °C without boiling |
| Density | 1.432 at 20 °C |
| Vapor Pressure | 1.35X10-6 mm Hg at 20 °C |
| Solubility | Readily soluble in 1,2-dichloroethane, acetone, and methanol |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F |
| InChIKey | LQDARGUHUSPFNL-UHFFFAOYSA-N |
Chemical Property Profile of Tetraconazole
Property Insights of Tetraconazole
The XLogP value of 4.4 indicates that Tetraconazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.9 Ų, Tetraconazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetraconazole has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tetraconazole?
The CAS number of Tetraconazole is 112281-77-3.
What is the molecular formula of Tetraconazole?
The molecular formula of Tetraconazole is C13H11Cl2F4N3O.
What is the molecular weight of Tetraconazole?
The molecular weight of Tetraconazole is 371.0215 g/mol.
Where can I buy Tetraconazole?
You can request a quote for Tetraconazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tetraconazole?
Yes, CoreyChem provides custom synthesis services for Tetraconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.