![4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid structure](/static/products/6938/693820-63-2.webp)
4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid
TL;DR: 4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid (CAS 693820-63-2) 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.
4-[(2-methylphenyl)methyl-methylsulfonylamino]benzoic acid
Also Known As: 4-[(2-methylbenzyl)(methylsulfonyl)amino]benzoic acid, 4-[(2-methylphenyl)methyl-methylsulfonylamino]benzoic acid, 4-[(2-methylbenzyl)(methylsulfonyl)amino]benzoicacid, 4-{N-[(2-methylphenyl)methyl]methanesulfonamido}benzoic acid, benzoic acid, 4-[[(2-methylphenyl)methyl](methylsulfonyl)amino]-
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.65942 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 782.04803 |
Chemical Identifiers
| CAS Number | 693820-63-2 |
|---|---|
| SMILES | CC1=CC=CC=C1CN(C2=CC=C(C=C2)C(=O)O)S(=O)(=O)C |
Product Overview
4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid (CAS 693820-63-2), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: 4-[(2-methylphenyl)methyl-methylsulfonylamino]benzoic acid.
Chemical Property Profile of 4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid
Property Insights of 4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid
The XLogP value of 2.65942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid has 1 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-Methylbenzyl)(methylsulfonyl)amino]benzoic acid?
The CAS number of 4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid is 693820-63-2.
What is the molecular formula of 4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid?
The molecular formula of 4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid is C16H17NO4S.
What is the molecular weight of 4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid?
The molecular weight of 4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid is 319.09 g/mol.
Where can I buy 4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid?
You can request a quote for 4-[(2-Methylbenzyl)(methylsulfonyl)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 4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Methylbenzyl)(methylsulfonyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.