(4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate
TL;DR: (4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate (CAS 431938-70-4) is a chemical compound with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate
Also Known As: p-Tolyl 4-oxo-4-((4-sulfamoylphenyl)amino)butanoate, AB00118533-01, (4-methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate, AN-329/40805572, 4-methylphenyl 4-[4-(aminosulfonyl)anilino]-4-oxobutanoate
| Molecular Formula | C17H18N2O5S |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 1.96672 |
| Topological Polar Surface Area | 115.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.09363 |
| Heavy Atoms | 25 |
| Complexity | 858.91614 |
Chemical Identifiers
| CAS Number | 431938-70-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N |
Product Overview
(4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate (CAS 431938-70-4), with molecular formula C17H18N2O5S and molecular weight 362.09 g/mol. IUPAC: (4-methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate.
Chemical Property Profile of (4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate
Property Insights of (4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate
The XLogP value of 1.96672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate. The TPSA of 115.56 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate. Following Lipinski's Rule of Five, (4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate has 2 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 (4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate?
The CAS number of (4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate is 431938-70-4.
What is the molecular formula of (4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate?
The molecular formula of (4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate is C17H18N2O5S.
What is the molecular weight of (4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate?
The molecular weight of (4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate is 362.09 g/mol.
Where can I buy (4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate?
You can request a quote for (4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Methylphenyl) 4-oxo-4-(4-sulfamoylanilino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.