3-Bromo-4-(4-fluorophenoxy)aniline
TL;DR: 3-Bromo-4-(4-fluorophenoxy)aniline (CAS 83660-64-4) is a chemical compound with molecular formula C12H9BrFNO and molecular weight 280.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-(4-fluorophenoxy)aniline
Also Known As: 3-bromo-4-(4-fluorophenoxy)aniline, Benzenamine, 3-bromo-4-(4-fluorophenoxy)-, 11P-242, A1-39111
| Molecular Formula | C12H9BrFNO |
|---|---|
| Molecular Weight | 280.99 g/mol |
| LogP | 3.9627 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.98514 |
| Heavy Atoms | 16 |
| Complexity | 498.87198 |
Chemical Identifiers
| CAS Number | 83660-64-4 |
|---|---|
| SMILES | C1=CC(=CC=C1OC2=C(C=C(C=C2)N)Br)F |
Product Overview
3-Bromo-4-(4-fluorophenoxy)aniline (CAS 83660-64-4), with molecular formula C12H9BrFNO and molecular weight 280.99 g/mol. IUPAC: 3-bromo-4-(4-fluorophenoxy)aniline.
Chemical Property Profile of 3-Bromo-4-(4-fluorophenoxy)aniline
Property Insights of 3-Bromo-4-(4-fluorophenoxy)aniline
The XLogP value of 3.9627 indicates that 3-Bromo-4-(4-fluorophenoxy)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.25 Ų, 3-Bromo-4-(4-fluorophenoxy)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-(4-fluorophenoxy)aniline has 1 hydrogen bond donor(s) and 2 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-(4-fluorophenoxy)aniline?
The CAS number of 3-Bromo-4-(4-fluorophenoxy)aniline is 83660-64-4.
What is the molecular formula of 3-Bromo-4-(4-fluorophenoxy)aniline?
The molecular formula of 3-Bromo-4-(4-fluorophenoxy)aniline is C12H9BrFNO.
What is the molecular weight of 3-Bromo-4-(4-fluorophenoxy)aniline?
The molecular weight of 3-Bromo-4-(4-fluorophenoxy)aniline is 280.99 g/mol.
Where can I buy 3-Bromo-4-(4-fluorophenoxy)aniline?
You can request a quote for 3-Bromo-4-(4-fluorophenoxy)aniline 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-(4-fluorophenoxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-(4-fluorophenoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.