Ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate
TL;DR: Ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate (CAS 376378-99-3) is a chemical compound with molecular formula C19H19NO6 and molecular weight 357.12 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]benzoate
Also Known As: ethyl 2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzoate, ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate, ethyl 2-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]benzoate
| Molecular Formula | C19H19NO6 |
|---|---|
| Molecular Weight | 357.12 g/mol |
| LogP | 3.1616 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.12125 |
| Heavy Atoms | 26 |
| Complexity | 847.91815 |
Chemical Identifiers
| CAS Number | 376378-99-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2 |
Product Overview
Ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate (CAS 376378-99-3), with molecular formula C19H19NO6 and molecular weight 357.12 g/mol. IUPAC: ethyl 2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzoate.
Chemical Property Profile of Ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate
Property Insights of Ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate
The XLogP value of 3.1616 indicates that Ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 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)benzoate. Following Lipinski's Rule of Five, Ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate has 1 hydrogen bond donor(s) and 7 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 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate?
The CAS number of Ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate is 376378-99-3.
What is the molecular formula of Ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate?
The molecular formula of Ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate is C19H19NO6.
What is the molecular weight of Ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate?
The molecular weight of Ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate is 357.12 g/mol.
Where can I buy Ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate?
You can request a quote for Ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate 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)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.