5-Bromo-4-chloro-2-fluorobenzoic acid
TL;DR: 5-Bromo-4-chloro-2-fluorobenzoic acid (CAS 289038-22-8) is a chemical compound with molecular formula C7H3BrClFO2 and molecular weight 251.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-4-chloro-2-fluorobenzoic acid
Also Known As: 5-bromo-4-chloro-2-fluorobenzoic acid, 5-bromo-4-chloro-2-fluoro-benzoic Acid, 5-Bromo-4-chloro-2-fluorobenzoicacid, Benzoic acid, 5-bromo-4-chloro-2-fluoro-, Benzoicacid, 5-bromo-4-chloro-2-fluoro-
| Molecular Formula | C7H3BrClFO2 |
|---|---|
| Molecular Weight | 251.90 g/mol |
| LogP | 2.9398 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.8989 |
| Heavy Atoms | 12 |
| Complexity | 340.4234 |
Chemical Identifiers
| CAS Number | 289038-22-8 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Br)Cl)F)C(=O)O |
Product Overview
5-Bromo-4-chloro-2-fluorobenzoic acid (CAS 289038-22-8), with molecular formula C7H3BrClFO2 and molecular weight 251.90 g/mol. IUPAC: 5-bromo-4-chloro-2-fluorobenzoic acid.
Chemical Property Profile of 5-Bromo-4-chloro-2-fluorobenzoic acid
Property Insights of 5-Bromo-4-chloro-2-fluorobenzoic acid
The XLogP value of 2.9398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-4-chloro-2-fluorobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 5-Bromo-4-chloro-2-fluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-4-chloro-2-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 5-Bromo-4-chloro-2-fluorobenzoic acid?
The CAS number of 5-Bromo-4-chloro-2-fluorobenzoic acid is 289038-22-8.
What is the molecular formula of 5-Bromo-4-chloro-2-fluorobenzoic acid?
The molecular formula of 5-Bromo-4-chloro-2-fluorobenzoic acid is C7H3BrClFO2.
What is the molecular weight of 5-Bromo-4-chloro-2-fluorobenzoic acid?
The molecular weight of 5-Bromo-4-chloro-2-fluorobenzoic acid is 251.90 g/mol.
Where can I buy 5-Bromo-4-chloro-2-fluorobenzoic acid?
You can request a quote for 5-Bromo-4-chloro-2-fluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-4-chloro-2-fluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-4-chloro-2-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.