(E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate
TL;DR: (E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate (CAS 673496-76-9) is a chemical compound with molecular formula C25H20N2O6 and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-[(E)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate
Also Known As: (E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate, methyl 4-(5-{(E)-[1-(4-ethylphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoate, methyl 4-[5-[(E)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate, Methyl 4-[5-[[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-furyl]benzoate
| Molecular Formula | C25H20N2O6 |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 3.962 |
| Topological Polar Surface Area | 105.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.13214 |
| Heavy Atoms | 33 |
| Complexity | 1268.9858 |
Chemical Identifiers
| CAS Number | 673496-76-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)C(=O)OC)/C(=O)NC2=O |
Product Overview
(E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate (CAS 673496-76-9), with molecular formula C25H20N2O6 and molecular weight 444.13 g/mol. IUPAC: methyl 4-[5-[(E)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate.
Chemical Property Profile of (E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate
Property Insights of (E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate
The XLogP value of 3.962 indicates that (E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.92 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate has 1 hydrogen bond donor(s) and 6 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 (E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate?
The CAS number of (E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate is 673496-76-9.
What is the molecular formula of (E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate?
The molecular formula of (E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate is C25H20N2O6.
What is the molecular weight of (E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate?
The molecular weight of (E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate is 444.13 g/mol.
Where can I buy (E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate?
You can request a quote for (E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.