3-Bromo-4-fluoroaniline
TL;DR: 3-Bromo-4-fluoroaniline (CAS 656-64-4) is a chemical compound with molecular formula C6H5BrFN and molecular weight 188.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-fluoroaniline
Also Known As: 3-Bromo-4-fluoroaniline, 3-bromo-4-fluorophenylamine, 3-bromo-4-fluorobenzenamine, 3-Bromo-4-fluoro Aniline, 3-bromo-4-fluoro-aniline
| Molecular Formula | C6H5BrFN |
|---|---|
| Molecular Weight | 188.96 g/mol |
| LogP | 2.1704 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.95894 |
| Heavy Atoms | 9 |
| Complexity | 224.29788 |
Chemical Identifiers
| CAS Number | 656-64-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)Br)F |
Product Overview
3-Bromo-4-fluoroaniline (CAS 656-64-4), with molecular formula C6H5BrFN and molecular weight 188.96 g/mol. IUPAC: 3-bromo-4-fluoroaniline.
Chemical Property Profile of 3-Bromo-4-fluoroaniline
Property Insights of 3-Bromo-4-fluoroaniline
The XLogP value of 2.1704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-fluoroaniline. With a topological polar surface area (TPSA) of 26.02 Ų, 3-Bromo-4-fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-fluoroaniline has 1 hydrogen bond donor(s) and 1 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 3-Bromo-4-fluoroaniline?
The CAS number of 3-Bromo-4-fluoroaniline is 656-64-4.
What is the molecular formula of 3-Bromo-4-fluoroaniline?
The molecular formula of 3-Bromo-4-fluoroaniline is C6H5BrFN.
What is the molecular weight of 3-Bromo-4-fluoroaniline?
The molecular weight of 3-Bromo-4-fluoroaniline is 188.96 g/mol.
Where can I buy 3-Bromo-4-fluoroaniline?
You can request a quote for 3-Bromo-4-fluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-fluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.