1-benzyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
TL;DR: 1-benzyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 491606-65-6) is a chemical compound with molecular formula C21H18N2O7 and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6-hydroxypyrimidine-2,4-dione
Also Known As: 1-benzyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione, 1-benzyl-5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6-hydroxypyrimidine-2,4-dione, 1-benzyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C21H18N2O7 |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 1.5675 |
| Topological Polar Surface Area | 119.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.1114 |
| Heavy Atoms | 30 |
| Complexity | 1244.6902 |
Chemical Identifiers
| CAS Number | 491606-65-6 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)O)OC |
Product Overview
1-benzyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione (CAS 491606-65-6), with molecular formula C21H18N2O7 and molecular weight 410.11 g/mol. IUPAC: 1-benzyl-5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of 1-benzyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
Property Insights of 1-benzyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione
The XLogP value of 1.5675 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. The TPSA of 119.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 1-benzyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione has 2 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-benzyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The CAS number of 1-benzyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 491606-65-6.
What is the molecular formula of 1-benzyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular formula of 1-benzyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is C21H18N2O7.
What is the molecular weight of 1-benzyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
The molecular weight of 1-benzyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione is 410.11 g/mol.
Where can I buy 1-benzyl-5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxypyrimidine-2,4(1H,3H)-dione?
You can request a quote for 1-benzyl-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 1-benzyl-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 1-benzyl-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.