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Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate
TL;DR: Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate (CAS 1164553-42-7) is a chemical compound with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-oxo-4-[4-[(2,4,6-trimethylphenyl)sulfamoyl]anilino]but-2-enoate
Also Known As: ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate, (E)-ethyl 4-((4-(N-mesitylsulfamoyl)phenyl)amino)-4-oxobut-2-enoate, ethyl (2E)-4-oxo-4-({4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl}amino)but-2-enoate, ethyl (E)-4-oxo-4-[4-[(2,4,6-trimethylphenyl)sulfamoyl]anilino]but-2-enoate
| Molecular Formula | C21H24N2O5S |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 3.47046 |
| Topological Polar Surface Area | 101.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.1406 |
| Heavy Atoms | 29 |
| Complexity | 1018.23627 |
Chemical Identifiers
| CAS Number | 1164553-42-7 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2C)C)C |
Product Overview
Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate (CAS 1164553-42-7), with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol. IUPAC: ethyl (E)-4-oxo-4-[4-[(2,4,6-trimethylphenyl)sulfamoyl]anilino]but-2-enoate.
Chemical Property Profile of Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate
Property Insights of Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate
The XLogP value of 3.47046 indicates that Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate. Following Lipinski's Rule of Five, Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate 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 Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate?
The CAS number of Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate is 1164553-42-7.
What is the molecular formula of Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate?
The molecular formula of Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate is C21H24N2O5S.
What is the molecular weight of Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate?
The molecular weight of Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate is 416.14 g/mol.
Where can I buy Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate?
You can request a quote for Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({4-[(mesitylamino)sulfonyl]phenyl}amino)-4-oxo-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.