![2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid structure](/static/products/861/86117-53-5.png)
2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid
TL;DR: 2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid (CAS 86117-53-5) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
Also Known As: Tos-Phe-OH, N-(p-Toluenesulfonyl)-L-phenylalanine, Tos-DL-Phe-OH, Tosyl-D-phenylalanine, Tosyl-L-phenylalanine
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 86117-53-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)O |
| InChIKey | CGRCVIZBNRUWLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid (CAS 86117-53-5), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: 2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid.
Chemical Property Profile of 2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid
Property Insights of 2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid. Following Lipinski's Rule of Five, 2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid has 2 hydrogen bond donor(s) and 5 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-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid?
The CAS number of 2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid is 86117-53-5.
What is the molecular formula of 2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid?
The molecular formula of 2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid is C16H17NO4S.
What is the molecular weight of 2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid?
The molecular weight of 2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid is 319.09 g/mol.
Where can I buy 2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid?
You can request a quote for 2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic 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-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.