![Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate structure](/static/products/356/356567-66-3.png)
Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate
TL;DR: Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate (CAS 356567-66-3) is a chemical compound with molecular formula C13H16N2O6S and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate
Also Known As: AE-641/00391023, methyl 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate, methyl 4-({4-[(acetylamino)sulfonyl]phenyl}amino)-4-oxobutanoate, methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate, methyl 4-{4-[(acetylamino)sulfonyl]anilino}-4-oxobutanoate
| Molecular Formula | C13H16N2O6S |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 0.4031 |
| Topological Polar Surface Area | 118.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.0729 |
| Heavy Atoms | 22 |
| Complexity | 666.27563 |
Chemical Identifiers
| CAS Number | 356567-66-3 |
|---|---|
| SMILES | CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)OC |
Product Overview
Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate (CAS 356567-66-3), with molecular formula C13H16N2O6S and molecular weight 328.07 g/mol. IUPAC: methyl 4-[4-(acetylsulfamoyl)anilino]-4-oxobutanoate.
Chemical Property Profile of Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate
Property Insights of Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate
The XLogP value of 0.4031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate. The TPSA of 118.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate. Following Lipinski's Rule of Five, Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate has 2 hydrogen bond donor(s) and 6 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 Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate?
The CAS number of Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate is 356567-66-3.
What is the molecular formula of Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate?
The molecular formula of Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate is C13H16N2O6S.
What is the molecular weight of Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate?
The molecular weight of Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate is 328.07 g/mol.
Where can I buy Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate?
You can request a quote for Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[4-(acetylsulfamoyl)phenyl]amino}-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.