5-Bromo-2-benzofurancarboxylic acid
TL;DR: 5-Bromo-2-benzofurancarboxylic acid (CAS 102433-78-3) is a chemical compound with molecular formula C9H5BrO3 and molecular weight 239.94221 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-1-benzofuran-2-carboxylic acid
Also Known As: 5-Bromobenzofuran-2-carboxylic acid, 5-bromo-1-benzofuran-2-carboxylic acid, 2-benzofurancarboxylic acid, 5-bromo-, 5-Bromo-2-carboxybenzofuran, 5-Bromo-2-carboxy-1-benzofuran
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H5BrO3 |
| Molecular Weight | 239.94221 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.94221 Da |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
| SMILES | C1=CC2=C(C=C1Br)C=C(O2)C(=O)O |
| InChIKey | QKUWZCOVKRUXKX-UHFFFAOYSA-N |
Chemical Property Profile of 5-Bromo-2-benzofurancarboxylic acid
Property Insights of 5-Bromo-2-benzofurancarboxylic acid
The XLogP value of 3.1 indicates that 5-Bromo-2-benzofurancarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, 5-Bromo-2-benzofurancarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-benzofurancarboxylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Bromo-2-benzofurancarboxylic acid?
The CAS number of 5-Bromo-2-benzofurancarboxylic acid is 102433-78-3.
What is the molecular formula of 5-Bromo-2-benzofurancarboxylic acid?
The molecular formula of 5-Bromo-2-benzofurancarboxylic acid is C9H5BrO3.
What is the molecular weight of 5-Bromo-2-benzofurancarboxylic acid?
The molecular weight of 5-Bromo-2-benzofurancarboxylic acid is 239.94221 g/mol.
Where can I buy 5-Bromo-2-benzofurancarboxylic acid?
You can request a quote for 5-Bromo-2-benzofurancarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Bromo-2-benzofurancarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-Bromo-2-benzofurancarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.