![4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid structure](/static/products/6069/606924-87-2.webp)
4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid
TL;DR: 4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid (CAS 606924-87-2) is a chemical compound with molecular formula C18H20N2O5S and molecular weight 376.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(3,4-dimethylphenyl)sulfamoyl]anilino]-4-oxobutanoic acid
Also Known As: 4-{4-[(3,4-dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid, AN-329/42033964, 4-[4-[(3,4-dimethylphenyl)sulfamoyl]anilino]-4-oxobutanoic acid, 4-((4-(N-(3,4-Dimethylphenyl)sulfamoyl)phenyl)amino)-4-oxobutanoic acid, 4-[(4-{[(3,4-dimethylphenyl)amino]sulfonyl}phenyl)amino]-4-oxobutanoic acid
| Molecular Formula | C18H20N2O5S |
|---|---|
| Molecular Weight | 376.11 g/mol |
| LogP | 2.90754 |
| Topological Polar Surface Area | 112.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.10928 |
| Heavy Atoms | 26 |
| Complexity | 921.09766 |
Chemical Identifiers
| CAS Number | 606924-87-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O)C |
Product Overview
4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid (CAS 606924-87-2), with molecular formula C18H20N2O5S and molecular weight 376.11 g/mol. IUPAC: 4-[4-[(3,4-dimethylphenyl)sulfamoyl]anilino]-4-oxobutanoic acid.
Chemical Property Profile of 4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid
Property Insights of 4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid
The XLogP value of 2.90754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid. The TPSA of 112.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid has 3 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 4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid?
The CAS number of 4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid is 606924-87-2.
What is the molecular formula of 4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid?
The molecular formula of 4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid is C18H20N2O5S.
What is the molecular weight of 4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid?
The molecular weight of 4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid is 376.11 g/mol.
Where can I buy 4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid?
You can request a quote for 4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{4-[(3,4-Dimethylanilino)sulfonyl]anilino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.