5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione
TL;DR: 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione (CAS 491606-79-2) is a chemical compound with molecular formula C21H18N2O8 and molecular weight 426.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
Also Known As: 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione, 5-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione, 5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione, 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
| Molecular Formula | C21H18N2O8 |
|---|---|
| Molecular Weight | 426.11 g/mol |
| LogP | 1.517 |
| Topological Polar Surface Area | 129.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.10632 |
| Heavy Atoms | 31 |
| Complexity | 1290.4575 |
Chemical Identifiers
| CAS Number | 491606-79-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=C(C(=O)NC2=O)C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)O |
Product Overview
5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione (CAS 491606-79-2), with molecular formula C21H18N2O8 and molecular weight 426.11 g/mol. IUPAC: 5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.
Chemical Property Profile of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione
Property Insights of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione
The XLogP value of 1.517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione. The TPSA of 129.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione has 2 hydrogen bond donor(s) and 8 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 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione is 491606-79-2.
What is the molecular formula of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione is C21H18N2O8.
What is the molecular weight of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione is 426.11 g/mol.
Where can I buy 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.