4-Bromo-2-(trifluoromethyl)aniline
TL;DR: 4-Bromo-2-(trifluoromethyl)aniline (CAS 445-02-3) is a chemical compound with molecular formula C7H5BrF3N and molecular weight 238.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-(trifluoromethyl)aniline
Also Known As: 4-Bromo-2-(trifluoromethyl)aniline, 2-Amino-5-bromobenzotrifluoride, zr de bxfff, Benzenamine, 4-bromo-2-(trifluoromethyl)-, 4-bromo-2-trifluoroaniline
| Molecular Formula | C7H5BrF3N |
|---|---|
| Molecular Weight | 238.96 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 238.95575 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 445-02-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)C(F)(F)F)N |
| InChIKey | PHXGKHTWEOPCEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-2-(trifluoromethyl)aniline (CAS 445-02-3), with molecular formula C7H5BrF3N and molecular weight 238.96 g/mol. IUPAC: 4-bromo-2-(trifluoromethyl)aniline.
Chemical Property Profile of 4-Bromo-2-(trifluoromethyl)aniline
Property Insights of 4-Bromo-2-(trifluoromethyl)aniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-(trifluoromethyl)aniline. With a topological polar surface area (TPSA) of 26.0 Ų, 4-Bromo-2-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 4 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 4-Bromo-2-(trifluoromethyl)aniline?
The CAS number of 4-Bromo-2-(trifluoromethyl)aniline is 445-02-3.
What is the molecular formula of 4-Bromo-2-(trifluoromethyl)aniline?
The molecular formula of 4-Bromo-2-(trifluoromethyl)aniline is C7H5BrF3N.
What is the molecular weight of 4-Bromo-2-(trifluoromethyl)aniline?
The molecular weight of 4-Bromo-2-(trifluoromethyl)aniline is 238.96 g/mol.
Where can I buy 4-Bromo-2-(trifluoromethyl)aniline?
You can request a quote for 4-Bromo-2-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.