Triflumizole
TL;DR: Triflumizole (CAS 68694-11-1) is a chemical compound with molecular formula C15H15ClF3N3O and molecular weight 345.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine
Also Known As: Triflumizole, Triflumizol, Terraguard, Trifmine, Procure
| Molecular Formula | C15H15ClF3N3O |
|---|---|
| Molecular Weight | 345.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.08557 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
| Melting Point | 63.5 °C |
| Boiling Point | No boiling point at normal pressure; decomposes at 150 °C |
| Density | 1.4 g/cm³ |
| Solubility | In water, 10.2 mg/L at 20 °C and pH 7 |
| Vapor Pressure | 0.0000014 [mmHg] |
Chemical Identifiers
| CAS Number | 68694-11-1 |
|---|---|
| SMILES | CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)N2C=CN=C2 |
| InChIKey | HSMVPDGQOIQYSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triflumizole (CAS 68694-11-1), with molecular formula C15H15ClF3N3O and molecular weight 345.09 g/mol. IUPAC: N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-propoxyethanimine.
Chemical Property Profile of Triflumizole
Property Insights of Triflumizole
The XLogP value of 4.0 indicates that Triflumizole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, Triflumizole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triflumizole has 0 hydrogen bond donor(s) and 6 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 Triflumizole?
The CAS number of Triflumizole is 68694-11-1.
What is the molecular formula of Triflumizole?
The molecular formula of Triflumizole is C15H15ClF3N3O.
What is the molecular weight of Triflumizole?
The molecular weight of Triflumizole is 345.09 g/mol.
Where can I buy Triflumizole?
You can request a quote for Triflumizole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triflumizole?
Yes, KEHONG BIO provides custom synthesis services for Triflumizole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.