ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate
TL;DR: ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate (CAS 796876-49-8) is a chemical compound with molecular formula C26H26N2O8S and molecular weight 526.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate, ethyl 2-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate, ethyl 2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
| Molecular Formula | C26H26N2O8S |
|---|---|
| Molecular Weight | 526.14 g/mol |
| LogP | 4.79242 |
| Topological Polar Surface Area | 121.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 526.141 |
| Heavy Atoms | 37 |
| Complexity | 1366.8468 |
Chemical Identifiers
| CAS Number | 796876-49-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2OC)NC3C4=C(C(=C(C=C4)OC)OC)C(=O)O3 |
Product Overview
ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate (CAS 796876-49-8), with molecular formula C26H26N2O8S and molecular weight 526.14 g/mol. IUPAC: ethyl 2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate
Property Insights of ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate
The XLogP value of 4.79242 indicates that ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate has 2 hydrogen bond donor(s) and 10 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-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate?
The CAS number of ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate is 796876-49-8.
What is the molecular formula of ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate?
The molecular formula of ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate is C26H26N2O8S.
What is the molecular weight of ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate?
The molecular weight of ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate is 526.14 g/mol.
Where can I buy ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate?
You can request a quote for ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-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 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5-((2-methoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.