5-Bromo-2-(methylsulfonyl)benzoic acid
TL;DR: 5-Bromo-2-(methylsulfonyl)benzoic acid (CAS 146431-33-6) is a chemical compound with molecular formula C8H7BrO4S and molecular weight 277.92484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-2-methylsulfonylbenzoic acid
Also Known As: 5-Bromo-2-(methylsulfonyl)benzoic acid, 5-bromo-2-methylsulfonylbenzoic acid, 5-bromo-2-methanesulfonylbenzoic acid, Benzoic acid, 5-bromo-2-(methylsulfonyl)-, 3-Bromo-6-methylsulfonylbenzoic acid
Technical Specifications
| Molecular Formula | C8H7BrO4S |
| Molecular Weight | 277.92484 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.92484 Da |
| Heavy Atoms | 14 |
| Complexity | 319.0 |
| SMILES | CS(=O)(=O)C1=C(C=C(C=C1)Br)C(=O)O |
| InChIKey | HUGYEDOXFXCAGW-UHFFFAOYSA-N |
Chemical Property Profile of 5-Bromo-2-(methylsulfonyl)benzoic acid
Property Insights of 5-Bromo-2-(methylsulfonyl)benzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-(methylsulfonyl)benzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-(methylsulfonyl)benzoic acid. Following Lipinski's Rule of Five, 5-Bromo-2-(methylsulfonyl)benzoic acid has 1 hydrogen bond donor(s) and 4 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-(methylsulfonyl)benzoic acid?
The CAS number of 5-Bromo-2-(methylsulfonyl)benzoic acid is 146431-33-6.
What is the molecular formula of 5-Bromo-2-(methylsulfonyl)benzoic acid?
The molecular formula of 5-Bromo-2-(methylsulfonyl)benzoic acid is C8H7BrO4S.
What is the molecular weight of 5-Bromo-2-(methylsulfonyl)benzoic acid?
The molecular weight of 5-Bromo-2-(methylsulfonyl)benzoic acid is 277.92484 g/mol.
Where can I buy 5-Bromo-2-(methylsulfonyl)benzoic acid?
You can request a quote for 5-Bromo-2-(methylsulfonyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Bromo-2-(methylsulfonyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 5-Bromo-2-(methylsulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.