糠菌唑
TL;DR: 糠菌唑 (CAS 116255-48-2) is a chemical compound with molecular formula C13H12BrCl2N3O and molecular weight 374.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
糠菌唑
1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
Also Known As: Bromuconazole, Bromoconazole, Bromuconazol, Condor, Bromuconazole [ISO]
| Molecular Formula | C13H12BrCl2N3O |
|---|---|
| Molecular Weight | 374.95 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.95407 |
| 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 |
| 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 |
| Vapor Pressure | 3X10-8 mm Hg at 25 °C |
Chemical Identifiers
| CAS Number | 116255-48-2 |
|---|---|
| SMILES | C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Br |
| InChIKey | HJJVPARKXDDIQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
糠菌唑 (CAS 116255-48-2), with molecular formula C13H12BrCl2N3O and molecular weight 374.95 g/mol. IUPAC: 1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole.
Chemical Property Profile of 糠菌唑
Property Insights of 糠菌唑
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, 糠菌唑 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
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 374.95 g/mol.
Where can I buy Bromuconazole?
You can request a quote for Bromuconazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromuconazole?
Yes, KEHONG BIO provides custom synthesis services for Bromuconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.