1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one
TL;DR: 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one (CAS 81023-04-3) is a chemical compound with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)cinnolin-4-one
Also Known As: 1-(1,3-Dihydro-5,6-dimethoxy-3-oxoisobenzofuran-1-yl)cinnolin-4(1H)-one, 1-(5,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)cinnolin-4-one, 1-(5',6'-Dimethoxy-3'-oxo-1',3'-dihydroisobenzofuran-1'-yl)cinnolin-4(1H)-one, CINNOLIN-4(1H)-ONE, 1-(1,3-DIHYDRO-5,6-DIMETHOXY-3-OXOISOBENZOFURAN-1-YL)-, 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one
| Molecular Formula | C18H14N2O5 |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.09027 |
| Heavy Atoms | 25 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 81023-04-3 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(OC2=O)N3C4=CC=CC=C4C(=O)C=N3)OC |
| InChIKey | YFZMMEREHSMKTO-UHFFFAOYSA-N |
Product Overview
1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one (CAS 81023-04-3), with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol. IUPAC: 1-(5,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)cinnolin-4-one.
Chemical Property Profile of 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one
Property Insights of 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one. Following Lipinski's Rule of Five, 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one has 0 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 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one?
The CAS number of 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one is 81023-04-3.
What is the molecular formula of 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one?
The molecular formula of 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one is C18H14N2O5.
What is the molecular weight of 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one?
The molecular weight of 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one is 338.09 g/mol.
Where can I buy 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one?
You can request a quote for 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5,6-Dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)cinnolin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.