Flumetralin
TL;DR: Flumetralin (CAS 62924-70-3) is a chemical compound with molecular formula C16H12ClF4N3O4 and molecular weight 421.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline
Also Known As: FLUMETRALIN, Premier, Flumetraline, Prime+, Flumetalin
| Molecular Formula | C16H12ClF4N3O4 |
|---|---|
| Molecular Weight | 421.05 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.04526 |
| Heavy Atoms | 28 |
| Complexity | 548.0 |
| Vapor Pressure | 0.00000024 [mmHg] |
Chemical Identifiers
| CAS Number | 62924-70-3 |
|---|---|
| SMILES | CCN(CC1=C(C=CC=C1Cl)F)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| InChIKey | PWNAWOCHVWERAR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Flumetralin (CAS 62924-70-3), with molecular formula C16H12ClF4N3O4 and molecular weight 421.05 g/mol. IUPAC: N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of Flumetralin
Property Insights of Flumetralin
The XLogP value of 5.2 indicates that Flumetralin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Flumetralin. Following Lipinski's Rule of Five, Flumetralin has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Flumetralin?
The CAS number of Flumetralin is 62924-70-3.
What is the molecular formula of Flumetralin?
The molecular formula of Flumetralin is C16H12ClF4N3O4.
What is the molecular weight of Flumetralin?
The molecular weight of Flumetralin is 421.05 g/mol.
Where can I buy Flumetralin?
You can request a quote for Flumetralin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flumetralin?
Yes, KEHONG BIO provides custom synthesis services for Flumetralin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.