![2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid structure](/static/products/7012/701272-37-9.webp)
2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid
TL;DR: 2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid (CAS 701272-37-9) is a chemical compound with molecular formula C11H15NO4S and molecular weight 257.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid
Also Known As: 5-[(isopropylamino)sulfonyl]-2-methylbenzoic acid, 2-methyl-5-[(propan-2-yl)sulfamoyl]benzoic acid, 2-methyl-5-(propan-2-ylsulfamoyl)benzoic Acid, 2-Methyl-5-(propan-2-yl)sulfamoylbenzoic Acid, 2-methyl-5-[(propan-2-yl)sulfamoyl]benzoicacid
| Molecular Formula | C11H15NO4S |
|---|---|
| Molecular Weight | 257.07 g/mol |
| LogP | 1.37992 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.07217 |
| Heavy Atoms | 17 |
| Complexity | 534.40247 |
Chemical Identifiers
| CAS Number | 701272-37-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NC(C)C)C(=O)O |
Product Overview
2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid (CAS 701272-37-9), with molecular formula C11H15NO4S and molecular weight 257.07 g/mol. IUPAC: 2-methyl-5-(propan-2-ylsulfamoyl)benzoic acid.
Chemical Property Profile of 2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid
Property Insights of 2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid
The XLogP value of 1.37992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid. Following Lipinski's Rule of Five, 2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]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 2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid?
The CAS number of 2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid is 701272-37-9.
What is the molecular formula of 2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid?
The molecular formula of 2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid is C11H15NO4S.
What is the molecular weight of 2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid?
The molecular weight of 2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid is 257.07 g/mol.
Where can I buy 2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid?
You can request a quote for 2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-[[(1-methylethyl)amino]sulfonyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.