N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid
TL;DR: N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid (CAS 70176-69-1) 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-[ethyl-(4-methylphenyl)sulfonylamino]benzoic acid
Also Known As: N-ETHYL-N-(P-TOLUENESULFONYL)ANTHRANILIC ACID, 2-[ethyl-(4-methylphenyl)sulfonylamino]benzoic acid, 2-[ethyl(p-tolylsulfonyl)amino]benzoic acid, 2-[ethyl-(4-methylphenyl)sulfonyl-amino]benzoic acid, 2-(N-Ethyl-4-methylphenylsulfonamido)benzoic acid
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 70176-69-1 |
|---|---|
| SMILES | CCN(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | LPFJVFYQRJNNHQ-UHFFFAOYSA-N |
Product Overview
N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid (CAS 70176-69-1), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: 2-[ethyl-(4-methylphenyl)sulfonylamino]benzoic acid.
Chemical Property Profile of N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid
Property Insights of N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid. Following Lipinski's Rule of Five, N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid has 1 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 N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid?
The CAS number of N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid is 70176-69-1.
What is the molecular formula of N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid?
The molecular formula of N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid is C16H17NO4S.
What is the molecular weight of N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid?
The molecular weight of N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid is 319.09 g/mol.
Where can I buy N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid?
You can request a quote for N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Ethyl-N-(P-toluenesulfonyl)anthranilic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.