4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: 4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 799773-11-8) is a chemical compound with molecular formula C20H21NO8S and molecular weight 435.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 5-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: 4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate, 4-ethyl 2-methyl 5-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-3-methylthiophene-2,4-dicarboxylate, 4-O-ethyl 2-O-methyl 5-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-3-methylthiophene-2,4-dicarboxylate, 5-(4,5-Dimethoxy-3-oxo-1,3-dihydro-isobenzofuran-1-ylamino)-3-methyl-thiophene-2,4-dicarboxylic acid 4-ethyl ester 2-methyl ester
| Molecular Formula | C20H21NO8S |
|---|---|
| Molecular Weight | 435.10 g/mol |
| LogP | 3.31812 |
| Topological Polar Surface Area | 109.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.0988 |
| Heavy Atoms | 30 |
| Complexity | 1012.72076 |
Chemical Identifiers
| CAS Number | 799773-11-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2 |
Product Overview
4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 799773-11-8), with molecular formula C20H21NO8S and molecular weight 435.10 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 5-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of 4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 3.31812 indicates that 4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, 4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 10 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 4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of 4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate is 799773-11-8.
What is the molecular formula of 4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of 4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate is C20H21NO8S.
What is the molecular weight of 4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of 4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate is 435.10 g/mol.
Where can I buy 4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for 4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-ethyl 2-methyl 5-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.