![5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid structure](/static/products/4187/418775-65-2.webp)
5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid
TL;DR: 5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid (CAS 418775-65-2) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(diethylsulfamoyl)-2-methylbenzoic acid
Also Known As: 5-[(diethylamino)sulfonyl]-2-methylbenzoic acid, 5-(diethylsulfamoyl)-2-methylbenzoic acid, 5-(N,N-Diethylsulfamoyl)-2-methylbenzoic acid, BIM-0023175.P001, 5-(N,N-Diethylsulfamoyl)-2-methylbenzoicacid
| Molecular Formula | C12H17NO4S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 1.72372 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.08783 |
| Heavy Atoms | 18 |
| Complexity | 547.19586 |
Chemical Identifiers
| CAS Number | 418775-65-2 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)O |
Product Overview
5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid (CAS 418775-65-2), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: 5-(diethylsulfamoyl)-2-methylbenzoic acid.
Chemical Property Profile of 5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid
Property Insights of 5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid
The XLogP value of 1.72372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid. Following Lipinski's Rule of Five, 5-[(Diethylamino)sulfonyl]-2-methylbenzoic 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 5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid?
The CAS number of 5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid is 418775-65-2.
What is the molecular formula of 5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid?
The molecular formula of 5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid is C12H17NO4S.
What is the molecular weight of 5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid?
The molecular weight of 5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid is 271.09 g/mol.
Where can I buy 5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid?
You can request a quote for 5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Diethylamino)sulfonyl]-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.