5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid
TL;DR: 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid (CAS 92544-26-8) is a chemical compound with molecular formula C12H15NO6S and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(butylsulfamoyl)benzene-1,3-dicarboxylic acid
Also Known As: 5-(butylsulfamoyl)benzene-1,3-dicarboxylic acid, 1,3-Benzenedicarboxylicacid,5-[(butylamino)sulfonyl], 1,3-Benzenedicarboxylicacid, 5-[(butylamino)sulfonyl]-
| Molecular Formula | C12H15NO6S |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 301.062 |
| Heavy Atoms | 20 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 92544-26-8 |
|---|---|
| SMILES | CCCCNS(=O)(=O)C1=CC(=CC(=C1)C(=O)O)C(=O)O |
| InChIKey | PSUXUHBQSMBANN-UHFFFAOYSA-N |
Product Overview
5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid (CAS 92544-26-8), with molecular formula C12H15NO6S and molecular weight 301.06 g/mol. IUPAC: 5-(butylsulfamoyl)benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid
Property Insights of 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid has 3 hydrogen bond donor(s) and 7 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-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid?
The CAS number of 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid is 92544-26-8.
What is the molecular formula of 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid?
The molecular formula of 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid is C12H15NO6S.
What is the molecular weight of 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid?
The molecular weight of 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid is 301.06 g/mol.
Where can I buy 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid?
You can request a quote for 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Butylsulfamoyl)benzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.