3-(4-Bromobenzenesulfonyl)propanoic acid
TL;DR: 3-(4-Bromobenzenesulfonyl)propanoic acid (CAS 200643-57-8) is a chemical compound with molecular formula C9H9BrO4S and molecular weight 291.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)sulfonylpropanoic acid
Also Known As: 3-(4-bromobenzenesulfonyl)propanoic acid, 3-[(4-bromophenyl)sulfonyl]propanoic acid, TimTec1_006995, 3-(4-bromophenyl)sulfonylpropanoic acid, 3-((4-bromophenyl)sulfonyl)propanoic acid
| Molecular Formula | C9H9BrO4S |
|---|---|
| Molecular Weight | 291.94 g/mol |
| LogP | 1.6975 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.9405 |
| Heavy Atoms | 15 |
| Complexity | 449.5056 |
Chemical Identifiers
| CAS Number | 200643-57-8 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)CCC(=O)O)Br |
Product Overview
3-(4-Bromobenzenesulfonyl)propanoic acid (CAS 200643-57-8), with molecular formula C9H9BrO4S and molecular weight 291.94 g/mol. IUPAC: 3-(4-bromophenyl)sulfonylpropanoic acid.
Chemical Property Profile of 3-(4-Bromobenzenesulfonyl)propanoic acid
Property Insights of 3-(4-Bromobenzenesulfonyl)propanoic acid
The XLogP value of 1.6975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromobenzenesulfonyl)propanoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Bromobenzenesulfonyl)propanoic acid. Following Lipinski's Rule of Five, 3-(4-Bromobenzenesulfonyl)propanoic 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 3-(4-Bromobenzenesulfonyl)propanoic acid?
The CAS number of 3-(4-Bromobenzenesulfonyl)propanoic acid is 200643-57-8.
What is the molecular formula of 3-(4-Bromobenzenesulfonyl)propanoic acid?
The molecular formula of 3-(4-Bromobenzenesulfonyl)propanoic acid is C9H9BrO4S.
What is the molecular weight of 3-(4-Bromobenzenesulfonyl)propanoic acid?
The molecular weight of 3-(4-Bromobenzenesulfonyl)propanoic acid is 291.94 g/mol.
Where can I buy 3-(4-Bromobenzenesulfonyl)propanoic acid?
You can request a quote for 3-(4-Bromobenzenesulfonyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromobenzenesulfonyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromobenzenesulfonyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.