N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline
TL;DR: N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline (CAS 84529-66-8) is a chemical compound with molecular formula C14H7BrF5N3O4 and molecular weight 454.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline
Also Known As: N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline, Benzenamine, N-(2-bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)-, 2-Bromo-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-4,6-difluoro-N-methylaniline, RefChem:322974
| Molecular Formula | C14H7BrF5N3O4 |
|---|---|
| Molecular Weight | 454.95 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 454.954 |
| Heavy Atoms | 27 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 84529-66-8 |
|---|---|
| SMILES | CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F)C2=C(C=C(C=C2Br)F)F |
| InChIKey | IMFMLUSHSVUGJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline (CAS 84529-66-8), with molecular formula C14H7BrF5N3O4 and molecular weight 454.95 g/mol. IUPAC: N-(2-bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline.
Chemical Property Profile of N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline
Property Insights of N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline
The XLogP value of 5.0 indicates that N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline 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 N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline has 0 hydrogen bond donor(s) and 10 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 N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline?
The CAS number of N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline is 84529-66-8.
What is the molecular formula of N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline?
The molecular formula of N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline is C14H7BrF5N3O4.
What is the molecular weight of N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline?
The molecular weight of N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline is 454.95 g/mol.
Where can I buy N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline?
You can request a quote for N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Bromo-4,6-difluorophenyl)-N-methyl-2,4-dinitro-6-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.