5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
TL;DR: 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 100620-94-8) is a chemical compound with molecular formula C14H12N2O7 and molecular weight 320.06 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-1H-pyrimidine-2,4-dione
Also Known As: 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione, 5-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,6-dihydroxypyrimidin-4(1H)-one, 5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione, 5-(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione
| Molecular Formula | C14H12N2O7 |
|---|---|
| Molecular Weight | 320.06 g/mol |
| LogP | 0.0458 |
| Topological Polar Surface Area | 130.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.06445 |
| Heavy Atoms | 23 |
| Complexity | 912.3174 |
Chemical Identifiers
| CAS Number | 100620-94-8 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)C3=C(NC(=O)NC3=O)O)OC |
Product Overview
5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 100620-94-8), with molecular formula C14H12N2O7 and molecular weight 320.06 g/mol. IUPAC: 5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6-hydroxy-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Property Insights of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
The XLogP value of 0.0458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. The TPSA of 130.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione has 3 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 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The CAS number of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 100620-94-8.
What is the molecular formula of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular formula of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is C14H12N2O7.
What is the molecular weight of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular weight of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 320.06 g/mol.
Where can I buy 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
You can request a quote for 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-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-hydroxypyrimidine-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-hydroxypyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.