![ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate structure](/static/products/6906/690677-85-1.webp)
ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate
TL;DR: ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate (CAS 690677-85-1) is a chemical compound with molecular formula C26H22N2O6 and molecular weight 458.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate
Also Known As: ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate, (Z)-ethyl 4-(5-((1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)furan-2-yl)benzoate, ethyl 4-(5-{(Z)-[1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoate, Ethyl 4-[5-[[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-furyl]benzoate
| Molecular Formula | C26H22N2O6 |
|---|---|
| Molecular Weight | 458.15 g/mol |
| LogP | 4.3521 |
| Topological Polar Surface Area | 105.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.1478 |
| Heavy Atoms | 34 |
| Complexity | 1285.5848 |
Chemical Identifiers
| CAS Number | 690677-85-1 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)C(=O)OCC)/C(=O)NC2=O |
Product Overview
ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate (CAS 690677-85-1), with molecular formula C26H22N2O6 and molecular weight 458.15 g/mol. IUPAC: ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate.
Chemical Property Profile of ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate
Property Insights of ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate
The XLogP value of 4.3521 indicates that ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-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 ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-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 ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate?
The CAS number of ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate is 690677-85-1.
What is the molecular formula of ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate?
The molecular formula of ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate is C26H22N2O6.
What is the molecular weight of ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate?
The molecular weight of ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate is 458.15 g/mol.
Where can I buy ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate?
You can request a quote for ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-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 ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[5-[(Z)-[1-(4-ethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.