![ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate structure](/static/products/304/304868-51-7.png)
ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate
TL;DR: ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate (CAS 304868-51-7) is a chemical compound with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate
Also Known As: ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate, (E)-ethyl 4-(5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)benzoate, ethyl 4-[(5E)-5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl]benzoate, ethyl 4-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate
| Molecular Formula | C22H20N2O7 |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 2.5469 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.12704 |
| Heavy Atoms | 31 |
| Complexity | 1073.7671 |
Chemical Identifiers
| CAS Number | 304868-51-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)/C(=C/C3=C(C=C(C=C3)OC)OC)/C(=O)NC2=O |
Product Overview
ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate (CAS 304868-51-7), with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol. IUPAC: ethyl 4-[(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate.
Chemical Property Profile of ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate
Property Insights of ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate
The XLogP value of 2.5469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate has 1 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 ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate?
The CAS number of ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate is 304868-51-7.
What is the molecular formula of ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate?
The molecular formula of ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate is C22H20N2O7.
What is the molecular weight of ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate?
The molecular weight of ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate is 424.13 g/mol.
Where can I buy ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate?
You can request a quote for ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[5-(2,4-dimethoxybenzylidene)-2,4,6-trioxotetrahydro-1(2H)-pyrimidinyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.