1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one
TL;DR: 1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one (CAS 879442-91-8) is a chemical compound with molecular formula C20H20N2O5 and molecular weight 368.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-[(3,4-dimethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: 1-benzyl-5-(3,4-dimethoxybenzyl)-6-hydroxypyrimidine-2,4(1H,3H)-dione, 1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one, 1-benzyl-5-[(3,4-dimethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione, 3-benzyl-5-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-1H-pyrimidine-2,4-dione
| Molecular Formula | C20H20N2O5 |
|---|---|
| Molecular Weight | 368.14 g/mol |
| LogP | 1.8985 |
| Topological Polar Surface Area | 93.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.1372 |
| Heavy Atoms | 27 |
| Complexity | 1054.2026 |
Chemical Identifiers
| CAS Number | 879442-91-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)O)OC |
Product Overview
1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one (CAS 879442-91-8), with molecular formula C20H20N2O5 and molecular weight 368.14 g/mol. IUPAC: 1-benzyl-5-[(3,4-dimethoxyphenyl)methyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of 1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one
Property Insights of 1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one
The XLogP value of 1.8985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one. The TPSA of 93.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one has 2 hydrogen bond donor(s) and 5 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-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one?
The CAS number of 1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one is 879442-91-8.
What is the molecular formula of 1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one?
The molecular formula of 1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one is C20H20N2O5.
What is the molecular weight of 1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one?
The molecular weight of 1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one is 368.14 g/mol.
Where can I buy 1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one?
You can request a quote for 1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-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-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-5-(3,4-dimethoxybenzyl)-2,6-dihydroxypyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.