Bromuconazole metabolite
TL;DR: Bromuconazole metabolite (CAS 58905-18-3) is a chemical compound with molecular formula C10H9Cl2N3O and molecular weight 257.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
Also Known As: Bromuconazole metabolite, Maybridge3_005460, AURORA KA-576, alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-ethanol, 1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
| Molecular Formula | C10H9Cl2N3O |
|---|---|
| Molecular Weight | 257.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.01227 |
| Heavy Atoms | 16 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 58905-18-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)O |
| InChIKey | XCWJBJOPHSVLGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromuconazole metabolite (CAS 58905-18-3), with molecular formula C10H9Cl2N3O and molecular weight 257.01 g/mol. IUPAC: 1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol.
Chemical Property Profile of Bromuconazole metabolite
Property Insights of Bromuconazole metabolite
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bromuconazole metabolite. With a topological polar surface area (TPSA) of 50.9 Ų, Bromuconazole metabolite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromuconazole metabolite has 1 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 metabolite?
The CAS number of Bromuconazole metabolite is 58905-18-3.
What is the molecular formula of Bromuconazole metabolite?
The molecular formula of Bromuconazole metabolite is C10H9Cl2N3O.
What is the molecular weight of Bromuconazole metabolite?
The molecular weight of Bromuconazole metabolite is 257.01 g/mol.
Where can I buy Bromuconazole metabolite?
You can request a quote for Bromuconazole metabolite directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromuconazole metabolite?
Yes, KEHONG BIO provides custom synthesis services for Bromuconazole metabolite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.