4-Bromo-2,6-difluorobenzoic acid
TL;DR: 4-Bromo-2,6-difluorobenzoic acid (CAS 651027-01-9) is a chemical compound with molecular formula C7H3BrF2O2 and molecular weight 235.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2,6-difluorobenzoic acid
Also Known As: 4-Bromo-2,6-difluorobenzoic Acid, Solvent Yellow 16, 4-bromo-2,6-difluoro-benzoic Acid, BENZOIC ACID, 4-BROMO-2,6-DIFLUORO-, 2,6-Difluoro-4-bromobenzoic acid
| Molecular Formula | C7H3BrF2O2 |
|---|---|
| Molecular Weight | 235.93 g/mol |
| LogP | 2.4255 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.92845 |
| Heavy Atoms | 12 |
| Complexity | 315.1734 |
Chemical Identifiers
| CAS Number | 651027-01-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1F)C(=O)O)F)Br |
Product Overview
4-Bromo-2,6-difluorobenzoic acid (CAS 651027-01-9), with molecular formula C7H3BrF2O2 and molecular weight 235.93 g/mol. IUPAC: 4-bromo-2,6-difluorobenzoic acid.
Chemical Property Profile of 4-Bromo-2,6-difluorobenzoic acid
Property Insights of 4-Bromo-2,6-difluorobenzoic acid
The XLogP value of 2.4255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2,6-difluorobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Bromo-2,6-difluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2,6-difluorobenzoic 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-2,6-difluorobenzoic acid?
The CAS number of 4-Bromo-2,6-difluorobenzoic acid is 651027-01-9.
What is the molecular formula of 4-Bromo-2,6-difluorobenzoic acid?
The molecular formula of 4-Bromo-2,6-difluorobenzoic acid is C7H3BrF2O2.
What is the molecular weight of 4-Bromo-2,6-difluorobenzoic acid?
The molecular weight of 4-Bromo-2,6-difluorobenzoic acid is 235.93 g/mol.
Where can I buy 4-Bromo-2,6-difluorobenzoic acid?
You can request a quote for 4-Bromo-2,6-difluorobenzoic 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-2,6-difluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2,6-difluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.