![2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one structure](/static/products/328/328971-53-5.png)
2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
TL;DR: 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 328971-53-5) is a chemical compound with molecular formula C14H13N3O6 and molecular weight 319.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
Also Known As: BAS 08859780, 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one, (E)-2-(2,5-dimethoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-[(1E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitro-3,4-dihydropyrimidin-4-one
| Molecular Formula | C14H13N3O6 |
|---|---|
| Molecular Weight | 319.08 g/mol |
| LogP | 1.5713 |
| Topological Polar Surface Area | 127.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.08044 |
| Heavy Atoms | 23 |
| Complexity | 827.7477 |
Chemical Identifiers
| CAS Number | 328971-53-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O |
Product Overview
2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 328971-53-5), with molecular formula C14H13N3O6 and molecular weight 319.08 g/mol. IUPAC: 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Property Insights of 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
The XLogP value of 1.5713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one. The TPSA of 127.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-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 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The CAS number of 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is 328971-53-5.
What is the molecular formula of 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular formula of 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is C14H13N3O6.
What is the molecular weight of 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular weight of 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is 319.08 g/mol.
Where can I buy 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
You can request a quote for 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-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 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.