(E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
TL;DR: (E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 797779-27-2) is a chemical compound with molecular formula C17H19N3O6 and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3-ethoxy-4-propoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
Also Known As: BAS 08866765, (E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-[2-(3-ethoxy-4-propoxy-phenyl)vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one, 2-[2-(3-ethoxy-4-propoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
| Molecular Formula | C17H19N3O6 |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 2.7416 |
| Topological Polar Surface Area | 127.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.12738 |
| Heavy Atoms | 26 |
| Complexity | 875.2873 |
Chemical Identifiers
| CAS Number | 797779-27-2 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC |
Product Overview
(E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 797779-27-2), with molecular formula C17H19N3O6 and molecular weight 361.13 g/mol. IUPAC: 2-[2-(3-ethoxy-4-propoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of (E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
Property Insights of (E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
The XLogP value of 2.7416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one. The TPSA of 127.58 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one. Following Lipinski's Rule of Five, (E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one has 2 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 (E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The CAS number of (E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is 797779-27-2.
What is the molecular formula of (E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular formula of (E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is C17H19N3O6.
What is the molecular weight of (E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular weight of (E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is 361.13 g/mol.
Where can I buy (E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
You can request a quote for (E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(3-ethoxy-4-propoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.