7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one
TL;DR: 7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one (CAS 400786-21-2) is a chemical compound with molecular formula C20H17NO6 and molecular weight 367.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-4-methylchromen-2-one
Also Known As: 7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one, 7-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-4-methyl-2H-chromen-2-one, 7-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-4-methylchromen-2-one, 7-[(1,3-Dihydro-4,5-dimethoxy-3-oxo-1-isobenzofuranyl)amino]-4-methyl-2H-1-benzopyran-2-one, 7-[(4,5-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-4-methyl-2H-1-benzopyran-2-one
| Molecular Formula | C20H17NO6 |
|---|---|
| Molecular Weight | 367.11 g/mol |
| LogP | 3.39972 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.1056 |
| Heavy Atoms | 27 |
| Complexity | 1117.3904 |
Chemical Identifiers
| CAS Number | 400786-21-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)NC3C4=C(C(=C(C=C4)OC)OC)C(=O)O3 |
Product Overview
7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one (CAS 400786-21-2), with molecular formula C20H17NO6 and molecular weight 367.11 g/mol. IUPAC: 7-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-4-methylchromen-2-one.
Chemical Property Profile of 7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one
Property Insights of 7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one
The XLogP value of 3.39972 indicates that 7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one. Following Lipinski's Rule of Five, 7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one 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 7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one?
The CAS number of 7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one is 400786-21-2.
What is the molecular formula of 7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one?
The molecular formula of 7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one is C20H17NO6.
What is the molecular weight of 7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one?
The molecular weight of 7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one is 367.11 g/mol.
Where can I buy 7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one?
You can request a quote for 7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.