Epoxiconazole
TL;DR: Epoxiconazole (CAS 133855-98-8) is a chemical compound with molecular formula C17H13ClFN3O and molecular weight 329.07312 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
Also Known As: Epoxiconazole, Epoxiconazol, epoxyconazole, Opal, OPUS
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H13ClFN3O |
| Molecular Weight | 329.07312 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 43.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.07312 Da |
| Heavy Atoms | 23 |
| Complexity | 421.0 |
| Vapor Pressure | 0.00000045 [mmHg] |
| SMILES | C1=CC=C(C(=C1)[C@@H]2[C@@](O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl |
| InChIKey | ZMYFCFLJBGAQRS-IAGOWNOFSA-N |
Chemical Property Profile of Epoxiconazole
Property Insights of Epoxiconazole
The XLogP value of 3.2 indicates that Epoxiconazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.2 Ų, Epoxiconazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Epoxiconazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Epoxiconazole?
The CAS number of Epoxiconazole is 133855-98-8.
What is the molecular formula of Epoxiconazole?
The molecular formula of Epoxiconazole is C17H13ClFN3O.
What is the molecular weight of Epoxiconazole?
The molecular weight of Epoxiconazole is 329.07312 g/mol.
Where can I buy Epoxiconazole?
You can request a quote for Epoxiconazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Epoxiconazole?
Yes, CoreyChem provides custom synthesis services for Epoxiconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.