ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate
TL;DR: ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate (CAS 796880-72-3) is a chemical compound with molecular formula C20H21NO7S and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-4-methylthiophene-3-carboxylate
Also Known As: ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate, ethyl 5-acetyl-2-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-4-methylthiophene-3-carboxylate, ethyl 5-acetyl-2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-4-methylthiophene-3-carboxylate
| Molecular Formula | C20H21NO7S |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 3.73412 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.10388 |
| Heavy Atoms | 29 |
| Complexity | 995.2013 |
Chemical Identifiers
| CAS Number | 796880-72-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2 |
Product Overview
ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate (CAS 796880-72-3), with molecular formula C20H21NO7S and molecular weight 419.10 g/mol. IUPAC: ethyl 5-acetyl-2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate
Property Insights of ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate
The XLogP value of 3.73412 indicates that ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 9 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 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate?
The CAS number of ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate is 796880-72-3.
What is the molecular formula of ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate?
The molecular formula of ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate is C20H21NO7S.
What is the molecular weight of ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate?
The molecular weight of ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate is 419.10 g/mol.
Where can I buy ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate?
You can request a quote for ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.