Bromuconazole
TL;DR: Bromuconazole (CAS 116255-48-2) is a chemical compound with molecular formula C13H12BrCl2N3O and molecular weight 374.95407 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
Also Known As: Bromuconazole, Bromoconazole, Bromuconazol, Condor, Bromuconazole [ISO]
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H12BrCl2N3O |
| Molecular Weight | 374.95407 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.95407 Da |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
| Melting Point | 84 °C |
| Boiling Point | No boiling point at normal pressure; decomposes at 194 °C |
| Density | 1.72 g/mL |
| Vapor Pressure | 3X10-8 mm Hg at 25 °C |
| Solubility | Acetone 32 g/100 ml; dichloromethane 50 g/100 ml; ethyl acetate 23 g/100 ml; n-hexane 0.2 g/100ml; MeOH 30 g/100 ml; 1-octanol 6 g/100 ml; 2-propanol 6 g/100 ml; toluene 22 g/100 ml; water (distilled) 61 mg/L; water (pH 5) 52 mg/L |
| SMILES | C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Br |
| InChIKey | HJJVPARKXDDIQD-UHFFFAOYSA-N |
Product Description
Applications: Bromuconazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, Bromuconazole (CAS 116255-48-2) has the molecular formula C13H12BrCl2N3O and a molecular weight of 374.95 g/mol. Reported properties include a density of 1.72 g/mL g/cm³, a solubility: Acetone 32 g/100 ml; dichloromethane 50 g/100 ml; ethyl acetate 23 g/100 ml; n-hexane 0.2 g/100ml; MeOH 30 g/100 ml; 1-octanol 6 g/100 ml; 2-propanol 6 g/100 ml; toluene 22 g/100 ml; water (distilled) 61 mg/L; water (pH 5) 52 mg/L. Synonyms include Bromuconazole and Bromoconazole.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Bromuconazole
Property Insights of Bromuconazole
The XLogP value of 3.6 indicates that Bromuconazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.9 Ų, Bromuconazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromuconazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bromuconazole?
The CAS number of Bromuconazole is 116255-48-2.
What is the molecular formula of Bromuconazole?
The molecular formula of Bromuconazole is C13H12BrCl2N3O.
What is the molecular weight of Bromuconazole?
The molecular weight of Bromuconazole is 374.95407 g/mol.
What are the applications of Bromuconazole?
Bromuconazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy Bromuconazole?
You can request a quote for Bromuconazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bromuconazole?
Yes, CoreyChem provides custom synthesis services for Bromuconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.