5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid
TL;DR: 5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid (CAS 565171-01-9) is a chemical compound with molecular formula C13H18N2O4S and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoic acid
Also Known As: 5-(dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid, 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoic acid, 5-Dimethylsulfamoyl-2-pyrrolidin-1-yl-benzoic acid, 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoic Acid, 5-(N,N-Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid
| Molecular Formula | C13H18N2O4S |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 1.2353 |
| Topological Polar Surface Area | 77.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.09872 |
| Heavy Atoms | 20 |
| Complexity | 619.25836 |
Chemical Identifiers
| CAS Number | 565171-01-9 |
|---|---|
| SMILES | CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)O |
Product Overview
5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid (CAS 565171-01-9), with molecular formula C13H18N2O4S and molecular weight 298.10 g/mol. IUPAC: 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoic acid.
Chemical Property Profile of 5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid
Property Insights of 5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid
The XLogP value of 1.2353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid. The TPSA of 77.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid. Following Lipinski's Rule of Five, 5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid has 1 hydrogen bond donor(s) and 4 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 5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid?
The CAS number of 5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid is 565171-01-9.
What is the molecular formula of 5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid?
The molecular formula of 5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid is C13H18N2O4S.
What is the molecular weight of 5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid?
The molecular weight of 5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid is 298.10 g/mol.
Where can I buy 5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid?
You can request a quote for 5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.