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4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid
TL;DR: 4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid (CAS 690646-18-5) is a chemical compound with molecular formula C18H21NO4S and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoic acid
Also Known As: 4-(((2,3,5,6-tetramethylphenyl)sulfonamido)methyl)benzoic acid, 4-({[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid, 4-(([(2,3,5,6-TETRAMETHYLPHENYL)SULFONYL]AMINO)METHYL)BENZOIC ACID, 4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoic acid, AQ-750/42501897
| Molecular Formula | C18H21NO4S |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.09698 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.11914 |
| Heavy Atoms | 24 |
| Complexity | 857.97504 |
Chemical Identifiers
| CAS Number | 690646-18-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O)C)C |
Product Overview
4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid (CAS 690646-18-5), with molecular formula C18H21NO4S and molecular weight 347.12 g/mol. IUPAC: 4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoic acid.
Chemical Property Profile of 4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid
Property Insights of 4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid
The XLogP value of 3.09698 indicates that 4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)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 4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid. Following Lipinski's Rule of Five, 4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)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 4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid?
The CAS number of 4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid is 690646-18-5.
What is the molecular formula of 4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid?
The molecular formula of 4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid is C18H21NO4S.
What is the molecular weight of 4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid?
The molecular weight of 4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid is 347.12 g/mol.
Where can I buy 4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid?
You can request a quote for 4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.