![3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid structure](/static/products/3132/313259-91-5.webp)
3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid
TL;DR: 3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid (CAS 313259-91-5) 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.
3-(diethylsulfamoyl)-4-methylbenzoic acid
Also Known As: 3-[(diethylamino)sulfonyl]-4-methylbenzoic acid, 3-(diethylsulfamoyl)-4-methylbenzoic acid, 3-(N,N-diethylsulfamoyl)-4-methylbenzoic acid, Benzothiazole-2,5,6-triamine, BAS 00116694
| Molecular Formula | C12H17NO4S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.08783 |
| Heavy Atoms | 18 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 313259-91-5 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C |
| InChIKey | GAJSSAJVKXGWLX-UHFFFAOYSA-N |
Product Overview
3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid (CAS 313259-91-5), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: 3-(diethylsulfamoyl)-4-methylbenzoic acid.
Chemical Property Profile of 3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid
Property Insights of 3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid has 1 hydrogen bond donor(s) and 5 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 3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid?
The CAS number of 3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid is 313259-91-5.
What is the molecular formula of 3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid?
The molecular formula of 3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid is C12H17NO4S.
What is the molecular weight of 3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid?
The molecular weight of 3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid is 271.09 g/mol.
Where can I buy 3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid?
You can request a quote for 3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Diethylamino)sulfonyl]-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.