4J-558S
TL;DR: 4J-558S (CAS 338424-45-6) is a chemical compound with molecular formula C17H15BrF3NO4S and molecular weight 464.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)sulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
Also Known As: 4J-558S, 3-[(4-bromophenyl)sulfonyl]-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide, 3-(4-bromophenyl)sulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide, 3-(4-bromobenzenesulfonyl)-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
| Molecular Formula | C17H15BrF3NO4S |
|---|---|
| Molecular Weight | 464.99 g/mol |
| LogP | 3.6313 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.98572 |
| Heavy Atoms | 27 |
| Complexity | 941.39606 |
Chemical Identifiers
| CAS Number | 338424-45-6 |
|---|---|
| SMILES | CC(CS(=O)(=O)C1=CC=C(C=C1)Br)(C(=O)NC2=CC=CC(=C2)C(F)(F)F)O |
Product Overview
4J-558S (CAS 338424-45-6), with molecular formula C17H15BrF3NO4S and molecular weight 464.99 g/mol. IUPAC: 3-(4-bromophenyl)sulfonyl-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.
Chemical Property Profile of 4J-558S
Property Insights of 4J-558S
The XLogP value of 3.6313 indicates that 4J-558S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4J-558S. Following Lipinski's Rule of Five, 4J-558S 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 4J-558S?
The CAS number of 4J-558S is 338424-45-6.
What is the molecular formula of 4J-558S?
The molecular formula of 4J-558S is C17H15BrF3NO4S.
What is the molecular weight of 4J-558S?
The molecular weight of 4J-558S is 464.99 g/mol.
Where can I buy 4J-558S?
You can request a quote for 4J-558S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-558S?
Yes, KEHONG BIO provides custom synthesis services for 4J-558S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.