2-Bromo-4-(trifluoromethoxy)aniline
TL;DR: 2-Bromo-4-(trifluoromethoxy)aniline (CAS 175278-17-8) is a chemical compound with molecular formula C7H5BrF3NO and molecular weight 254.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-(trifluoromethoxy)aniline
Also Known As: 2-Bromo-4-(trifluoromethoxy)aniline, 2-Bromo-4-trifluoromethoxyaniline, Riluzole Impurity 5, 2-bromo-4-tirfluoromethoxyaniline, Benzenamine, 2-bromo-4-(trifluoromethoxy)-
| Molecular Formula | C7H5BrF3NO |
|---|---|
| Molecular Weight | 254.95 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.95065 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 175278-17-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1OC(F)(F)F)Br)N |
| InChIKey | ROSTYHNIIDIBEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-4-(trifluoromethoxy)aniline (CAS 175278-17-8), with molecular formula C7H5BrF3NO and molecular weight 254.95 g/mol. IUPAC: 2-bromo-4-(trifluoromethoxy)aniline.
Chemical Property Profile of 2-Bromo-4-(trifluoromethoxy)aniline
Property Insights of 2-Bromo-4-(trifluoromethoxy)aniline
The XLogP value of 3.1 indicates that 2-Bromo-4-(trifluoromethoxy)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.3 Ų, 2-Bromo-4-(trifluoromethoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-(trifluoromethoxy)aniline has 1 hydrogen bond donor(s) and 5 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 2-Bromo-4-(trifluoromethoxy)aniline?
The CAS number of 2-Bromo-4-(trifluoromethoxy)aniline is 175278-17-8.
What is the molecular formula of 2-Bromo-4-(trifluoromethoxy)aniline?
The molecular formula of 2-Bromo-4-(trifluoromethoxy)aniline is C7H5BrF3NO.
What is the molecular weight of 2-Bromo-4-(trifluoromethoxy)aniline?
The molecular weight of 2-Bromo-4-(trifluoromethoxy)aniline is 254.95 g/mol.
Where can I buy 2-Bromo-4-(trifluoromethoxy)aniline?
You can request a quote for 2-Bromo-4-(trifluoromethoxy)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-(trifluoromethoxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-(trifluoromethoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.