![3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid structure](/static/products/838/838818-53-4.png)
3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid
TL;DR: 3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid (CAS 838818-53-4) is a chemical compound with molecular formula C17H19NO4S and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoic acid
Also Known As: 3-((2,3,5,6-tetramethylphenyl)sulfonamido)benzoic acid, 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoic Acid, 3-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}benzoic acid, 3-(2,3,5,6-tetramethylphenylsulfonamido)benzoic acid, 3-(2,3,5,6-tetramethylbenzenesulfonamido)benzoic acid
| Molecular Formula | C17H19NO4S |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 3.41928 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.1035 |
| Heavy Atoms | 23 |
| Complexity | 859.45667 |
Chemical Identifiers
| CAS Number | 838818-53-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)S(=O)(=O)NC2=CC=CC(=C2)C(=O)O)C)C |
Product Overview
3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid (CAS 838818-53-4), with molecular formula C17H19NO4S and molecular weight 333.10 g/mol. IUPAC: 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoic acid.
Chemical Property Profile of 3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid
Property Insights of 3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid
The XLogP value of 3.41928 indicates that 3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid 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 3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic 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-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid?
The CAS number of 3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid is 838818-53-4.
What is the molecular formula of 3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid?
The molecular formula of 3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid is C17H19NO4S.
What is the molecular weight of 3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid?
The molecular weight of 3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid is 333.10 g/mol.
Where can I buy 3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid?
You can request a quote for 3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.