Becliconazole
TL;DR: Becliconazole (CAS 112893-26-2) is a chemical compound with molecular formula C18H12Cl2N2O and molecular weight 342.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole
Also Known As: Becliconazole, Becliconazol, Becliconazolum, becliconazole[inn], Becliconazole [INN]
| Molecular Formula | C18H12Cl2N2O |
|---|---|
| Molecular Weight | 342.03 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 31.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.03265 |
| Heavy Atoms | 23 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 112893-26-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(C2=CC3=C(O2)C=CC(=C3)Cl)N4C=CN=C4)Cl |
| InChIKey | ZSTBJMFRJPALNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Becliconazole (CAS 112893-26-2), with molecular formula C18H12Cl2N2O and molecular weight 342.03 g/mol. IUPAC: 1-[(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole.
Chemical Property Profile of Becliconazole
Property Insights of Becliconazole
The XLogP value of 5.0 indicates that Becliconazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.0 Ų, Becliconazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Becliconazole has 0 hydrogen bond donor(s) and 2 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 Becliconazole?
The CAS number of Becliconazole is 112893-26-2.
What is the molecular formula of Becliconazole?
The molecular formula of Becliconazole is C18H12Cl2N2O.
What is the molecular weight of Becliconazole?
The molecular weight of Becliconazole is 342.03 g/mol.
Where can I buy Becliconazole?
You can request a quote for Becliconazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Becliconazole?
Yes, KEHONG BIO provides custom synthesis services for Becliconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.