Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate
TL;DR: Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate (CAS 54805-46-8) is a chemical compound with molecular formula C27H31NO6S2 and molecular weight 529.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-5-methyl-4-phenylthiophene-3-carboxylate
Also Known As: Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate, ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-5-methyl-4-phenylthiophene-3-carboxylate, ethyl 2-[(4-ethoxy-4-oxo-butyl)-(p-tolylsulfonyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylate, Ethyl 2-[N-(4-ethoxy-4-oxobutyl)-4-methylbenzene-1-sulfonamido]-5-methyl-4-phenylthiophene-3-carboxylate
| Molecular Formula | C27H31NO6S2 |
|---|---|
| Molecular Weight | 529.16 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 529.1593 |
| Heavy Atoms | 36 |
| Complexity | 815.0 |
Chemical Identifiers
| CAS Number | 54805-46-8 |
|---|---|
| SMILES | CCOC(=O)CCCN(C1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC)S(=O)(=O)C3=CC=C(C=C3)C |
| InChIKey | VEFSREGXRAZJHY-UHFFFAOYSA-N |
Product Overview
Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate (CAS 54805-46-8), with molecular formula C27H31NO6S2 and molecular weight 529.16 g/mol. IUPAC: ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-5-methyl-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate
Property Insights of Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate
The XLogP value of 5.8 indicates that Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate?
The CAS number of Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate is 54805-46-8.
What is the molecular formula of Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate?
The molecular formula of Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate is C27H31NO6S2.
What is the molecular weight of Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate?
The molecular weight of Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate is 529.16 g/mol.
Where can I buy Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate?
You can request a quote for Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((4-ethoxy-4-oxobutyl)((4-methylphenyl)sulfonyl)amino)-5-methyl-4-phenyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.