4-Bromo-3-fluorobenzoic acid
TL;DR: 4-Bromo-3-fluorobenzoic acid (CAS 179232-29-2) is a chemical compound with molecular formula C7H4BrFO2 and molecular weight 217.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-fluorobenzoic acid
Also Known As: 4-BROMO-3-FLUOROBENZOIC ACID, Benzoic acid, 4-bromo-3-fluoro-, 4-bromo-3-fluoro-benzoic Acid, 4-Bromo-3-fluorobenzoicacid, 3-fluoro-4-bromobenzoic acid
| Molecular Formula | C7H4BrFO2 |
|---|---|
| Molecular Weight | 217.94 g/mol |
| LogP | 2.2864 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.93787 |
| Heavy Atoms | 11 |
| Complexity | 298.4921 |
Chemical Identifiers
| CAS Number | 179232-29-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)F)Br |
Product Overview
4-Bromo-3-fluorobenzoic acid (CAS 179232-29-2), with molecular formula C7H4BrFO2 and molecular weight 217.94 g/mol. IUPAC: 4-bromo-3-fluorobenzoic acid.
Chemical Property Profile of 4-Bromo-3-fluorobenzoic acid
Property Insights of 4-Bromo-3-fluorobenzoic acid
The XLogP value of 2.2864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-3-fluorobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Bromo-3-fluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-fluorobenzoic acid 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 4-Bromo-3-fluorobenzoic acid?
The CAS number of 4-Bromo-3-fluorobenzoic acid is 179232-29-2.
What is the molecular formula of 4-Bromo-3-fluorobenzoic acid?
The molecular formula of 4-Bromo-3-fluorobenzoic acid is C7H4BrFO2.
What is the molecular weight of 4-Bromo-3-fluorobenzoic acid?
The molecular weight of 4-Bromo-3-fluorobenzoic acid is 217.94 g/mol.
Where can I buy 4-Bromo-3-fluorobenzoic acid?
You can request a quote for 4-Bromo-3-fluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-fluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.