4-Bromo-2-fluoroanisole
TL;DR: 4-Bromo-2-fluoroanisole (CAS 2357-52-0) is a chemical compound with molecular formula C7H6BrFO and molecular weight 203.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-fluoro-1-methoxybenzene
Also Known As: 4-Bromo-2-fluoroanisole, 4-Bromo-2-fluoro-1-methoxybenzene, 2-fluoro-4-bromoanisole, Benzene, 4-bromo-2-fluoro-1-methoxy-, 1-Bromo-3-fluoro-4-methoxybenzene
| Molecular Formula | C7H6BrFO |
|---|---|
| Molecular Weight | 203.96 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.9586 |
| Heavy Atoms | 10 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 2357-52-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)F |
| InChIKey | DWNXGZBXFDNKOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-2-fluoroanisole (CAS 2357-52-0), with molecular formula C7H6BrFO and molecular weight 203.96 g/mol. IUPAC: 4-bromo-2-fluoro-1-methoxybenzene.
Chemical Property Profile of 4-Bromo-2-fluoroanisole
Property Insights of 4-Bromo-2-fluoroanisole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-fluoroanisole. With a topological polar surface area (TPSA) of 9.2 Ų, 4-Bromo-2-fluoroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-fluoroanisole has 0 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 4-Bromo-2-fluoroanisole?
The CAS number of 4-Bromo-2-fluoroanisole is 2357-52-0.
What is the molecular formula of 4-Bromo-2-fluoroanisole?
The molecular formula of 4-Bromo-2-fluoroanisole is C7H6BrFO.
What is the molecular weight of 4-Bromo-2-fluoroanisole?
The molecular weight of 4-Bromo-2-fluoroanisole is 203.96 g/mol.
Where can I buy 4-Bromo-2-fluoroanisole?
You can request a quote for 4-Bromo-2-fluoroanisole 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-fluoroanisole?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-fluoroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.