![ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate structure](/static/products/872/872546-00-4.png)
ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate
TL;DR: ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate (CAS 872546-00-4) is a chemical compound with molecular formula C19H15N3O7 and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoate
Also Known As: ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate, ethyl 3-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoate, ethyl 3-{5-[(1E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate, ethyl 3-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]-2-furyl]benzoate, Ethyl 3-[5-[2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-furyl]benzoate
| Molecular Formula | C19H15N3O7 |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 2.9908 |
| Topological Polar Surface Area | 148.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.091 |
| Heavy Atoms | 29 |
| Complexity | 1160.6046 |
Chemical Identifiers
| CAS Number | 872546-00-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O |
Product Overview
ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate (CAS 872546-00-4), with molecular formula C19H15N3O7 and molecular weight 397.09 g/mol. IUPAC: ethyl 3-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzoate.
Chemical Property Profile of ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate
Property Insights of ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate
The XLogP value of 2.9908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate. The TPSA of 148.56 Ų indicates high polarity, suggesting ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate has 2 hydrogen bond donor(s) and 8 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 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate?
The CAS number of ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate is 872546-00-4.
What is the molecular formula of ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate?
The molecular formula of ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate is C19H15N3O7.
What is the molecular weight of ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate?
The molecular weight of ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate is 397.09 g/mol.
Where can I buy ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate?
You can request a quote for ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]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 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-{5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1,6-dihydropyrimidin-2-yl)ethenyl]furan-2-yl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.