RefChem:1081897
TL;DR: RefChem:1081897 (CAS 81023-06-5) is a chemical compound with molecular formula C20H18N2O7 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6,7-dimethoxycinnolin-4-one
Also Known As: 6,7-Dimethoxy-1-(1,3-dihydro-4,5-dimethoxy-3-oxoisobenzofuran-1-yl)cinnolin-4(1H)-one, Cinnolin-4(1H)-one, 1-(1,3-dihydro-4,5-dimethoxy-3-oxoisobenzofuran-1-yl)-6,7-dimethoxy-, 1-(4',5'-Dimethoxy-3'-oxo-1',3'-dihydroisobenzofuran-1'-yl)-6,7-dimethoxycinnolin-4(1H)-one, 1-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6,7-dimethoxycinnolin-4-one, 1-(1,3-DIHYDRO-4,5-DIMETHOXY-3-OXOISOBENZOFURAN-1-YL)-6,7-DIMETHOXYCINNOLIN-4(1H)-ONE
| Molecular Formula | C20H18N2O7 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.1114 |
| Heavy Atoms | 29 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 81023-06-5 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)N3C4=CC(=C(C=C4C(=O)C=N3)OC)OC)OC |
| InChIKey | QDJGFYUBUMSXLS-UHFFFAOYSA-N |
Product Overview
RefChem:1081897 (CAS 81023-06-5), with molecular formula C20H18N2O7 and molecular weight 398.11 g/mol. IUPAC: 1-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6,7-dimethoxycinnolin-4-one.
Chemical Property Profile of RefChem:1081897
Property Insights of RefChem:1081897
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1081897. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1081897. Following Lipinski's Rule of Five, RefChem:1081897 has 0 hydrogen bond donor(s) and 9 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 RefChem:1081897?
The CAS number of RefChem:1081897 is 81023-06-5.
What is the molecular formula of RefChem:1081897?
The molecular formula of RefChem:1081897 is C20H18N2O7.
What is the molecular weight of RefChem:1081897?
The molecular weight of RefChem:1081897 is 398.11 g/mol.
Where can I buy RefChem:1081897?
You can request a quote for RefChem:1081897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1081897?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1081897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.