Isoconazole
TL;DR: Isoconazole (CAS 27523-40-6) is a chemical compound with molecular formula C18H14Cl4N2O and molecular weight 413.98602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
Also Known As: Isoconazole, Isoconazol, Isoconazolum, Travogen, Fazol
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H14Cl4N2O |
| Molecular Weight | 413.98602 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 27.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.98306 Da |
| Heavy Atoms | 25 |
| Complexity | 407.0 |
| Melting Point | 179 |
| SMILES | C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl |
| InChIKey | MPIPASJGOJYODL-UHFFFAOYSA-N |
Chemical Property Profile of Isoconazole
Property Insights of Isoconazole
The XLogP value of 5.3 indicates that Isoconazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.1 Ų, Isoconazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoconazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Isoconazole?
The CAS number of Isoconazole is 27523-40-6.
What is the molecular formula of Isoconazole?
The molecular formula of Isoconazole is C18H14Cl4N2O.
What is the molecular weight of Isoconazole?
The molecular weight of Isoconazole is 413.98602 g/mol.
Where can I buy Isoconazole?
You can request a quote for Isoconazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoconazole?
Yes, CoreyChem provides custom synthesis services for Isoconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.