3-Bromo-5-methoxybenzoic acid
TL;DR: 3-Bromo-5-methoxybenzoic acid (CAS 157893-14-6) is a chemical compound with molecular formula C8H7BrO3 and molecular weight 229.95786 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-5-methoxybenzoic acid
Also Known As: 3-bromo-5-methoxybenzoic acid, 3-Bromo-5-carboxyanisole, 3-bromo-5-methoxybenzoicacid, BENZOIC ACID, 3-BROMO-5-METHOXY-, 3-bromo-5-methoxy-benzoic Acid
Technical Specifications
| Molecular Formula | C8H7BrO3 |
| Molecular Weight | 229.95786 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.95786 Da |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
| SMILES | COC1=CC(=CC(=C1)C(=O)O)Br |
| InChIKey | DMXJBCHYVUGXEH-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromo-5-methoxybenzoic acid
Property Insights of 3-Bromo-5-methoxybenzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-5-methoxybenzoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Bromo-5-methoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-methoxybenzoic 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 3-Bromo-5-methoxybenzoic acid?
The CAS number of 3-Bromo-5-methoxybenzoic acid is 157893-14-6.
What is the molecular formula of 3-Bromo-5-methoxybenzoic acid?
The molecular formula of 3-Bromo-5-methoxybenzoic acid is C8H7BrO3.
What is the molecular weight of 3-Bromo-5-methoxybenzoic acid?
The molecular weight of 3-Bromo-5-methoxybenzoic acid is 229.95786 g/mol.
Where can I buy 3-Bromo-5-methoxybenzoic acid?
You can request a quote for 3-Bromo-5-methoxybenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromo-5-methoxybenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Bromo-5-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.