2-(4-Bromobenzenesulfonyl)acetic acid
TL;DR: 2-(4-Bromobenzenesulfonyl)acetic acid (CAS 3406-73-3) is a chemical compound with molecular formula C8H7BrO4S and molecular weight 277.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)sulfonylacetic acid
Also Known As: 2-(4-bromobenzenesulfonyl)acetic acid, 2-(4-bromophenyl)sulfonylacetic Acid, 4-Carbmethoxy-2-methylindole, 2-((4-bromophenyl)sulfonyl)acetic acid, 2-[(4-bromobenzene)sulfonyl]acetic acid
| Molecular Formula | C8H7BrO4S |
|---|---|
| Molecular Weight | 277.92 g/mol |
| LogP | 1.3074 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.92484 |
| Heavy Atoms | 14 |
| Complexity | 434.914 |
Chemical Identifiers
| CAS Number | 3406-73-3 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)CC(=O)O)Br |
Product Overview
2-(4-Bromobenzenesulfonyl)acetic acid (CAS 3406-73-3), with molecular formula C8H7BrO4S and molecular weight 277.92 g/mol. IUPAC: 2-(4-bromophenyl)sulfonylacetic acid.
Chemical Property Profile of 2-(4-Bromobenzenesulfonyl)acetic acid
Property Insights of 2-(4-Bromobenzenesulfonyl)acetic acid
The XLogP value of 1.3074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromobenzenesulfonyl)acetic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromobenzenesulfonyl)acetic acid. Following Lipinski's Rule of Five, 2-(4-Bromobenzenesulfonyl)acetic 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
Frequently Asked Questions
What is the CAS number of 2-(4-Bromobenzenesulfonyl)acetic acid?
The CAS number of 2-(4-Bromobenzenesulfonyl)acetic acid is 3406-73-3.
What is the molecular formula of 2-(4-Bromobenzenesulfonyl)acetic acid?
The molecular formula of 2-(4-Bromobenzenesulfonyl)acetic acid is C8H7BrO4S.
What is the molecular weight of 2-(4-Bromobenzenesulfonyl)acetic acid?
The molecular weight of 2-(4-Bromobenzenesulfonyl)acetic acid is 277.92 g/mol.
Where can I buy 2-(4-Bromobenzenesulfonyl)acetic acid?
You can request a quote for 2-(4-Bromobenzenesulfonyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromobenzenesulfonyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromobenzenesulfonyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.