3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid
TL;DR: 3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid (CAS 332052-57-0) is a chemical compound with molecular formula C16H16FNO4S and molecular weight 337.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid
Also Known As: IFLab1_001591, 3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid, 3-(4-Fluorophenyl)-3-(4-methylphenylsulfonamido)propanoic acid, BAS 00866790, 3-(4-fluorophenyl)-3-(toluene-4-sulfonylamino)-propionic acid
| Molecular Formula | C16H16FNO4S |
|---|---|
| Molecular Weight | 337.08 g/mol |
| LogP | 2.62842 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.0784 |
| Heavy Atoms | 23 |
| Complexity | 785.8349 |
Chemical Identifiers
| CAS Number | 332052-57-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)O)C2=CC=C(C=C2)F |
Product Overview
3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid (CAS 332052-57-0), with molecular formula C16H16FNO4S and molecular weight 337.08 g/mol. IUPAC: 3-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoic acid.
Chemical Property Profile of 3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid
Property Insights of 3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid
The XLogP value of 2.62842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid. Following Lipinski's Rule of Five, 3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid has 2 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-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid?
The CAS number of 3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid is 332052-57-0.
What is the molecular formula of 3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid?
The molecular formula of 3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid is C16H16FNO4S.
What is the molecular weight of 3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid?
The molecular weight of 3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid is 337.08 g/mol.
Where can I buy 3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid?
You can request a quote for 3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic 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-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.