2-(4-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid
TL;DR: 2-(4-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid (CAS 169187-03-5) is a chemical compound with molecular formula C11H14BrNO4S2 and molecular weight 366.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
Also Known As: 2-(4-bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid, ((4-Bromophenyl)sulfonyl)-DL-methionine, ((4-BROMOPHENYL)SULFONYL)METHIONINE, 2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid, 2-{[(4-bromophenyl)sulfonyl]amino}-4-(methylthio)butanoic acid
| Molecular Formula | C11H14BrNO4S2 |
|---|---|
| Molecular Weight | 366.95 g/mol |
| LogP | 1.9337 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.95477 |
| Heavy Atoms | 19 |
| Complexity | 530.1311 |
Chemical Identifiers
| CAS Number | 169187-03-5 |
|---|---|
| SMILES | CSCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)Br |
Product Overview
2-(4-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid (CAS 169187-03-5), with molecular formula C11H14BrNO4S2 and molecular weight 366.95 g/mol. IUPAC: 2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of 2-(4-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid
Property Insights of 2-(4-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid
The XLogP value of 1.9337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid. Following Lipinski's Rule of Five, 2-(4-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid has 2 hydrogen bond donor(s) and 4 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-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid?
The CAS number of 2-(4-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid is 169187-03-5.
What is the molecular formula of 2-(4-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid?
The molecular formula of 2-(4-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid is C11H14BrNO4S2.
What is the molecular weight of 2-(4-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid?
The molecular weight of 2-(4-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid is 366.95 g/mol.
Where can I buy 2-(4-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid?
You can request a quote for 2-(4-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic 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-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.