(E)-2-(2-(allyloxy)-3-methoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
TL;DR: (E)-2-(2-(allyloxy)-3-methoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 838817-76-8) is a chemical compound with molecular formula C16H15N3O6 and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-[(E)-2-(3-methoxy-2-prop-2-enoxyphenyl)ethenyl]-5-nitro-1H-pyrimidin-6-one
Also Known As: (E)-2-(2-(allyloxy)-3-methoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-{2-[2-(allyloxy)-3-methoxyphenyl]vinyl}-6-hydroxy-5-nitro-4(3H)-pyrimidinone, 4-hydroxy-2-[(E)-2-(3-methoxy-2-prop-2-enoxyphenyl)ethenyl]-5-nitro-1H-pyrimidin-6-one, 6-hydroxy-2-[2-(3-methoxy-2-prop-2-enoxy-phenyl)ethenyl]-5-nitro-3H-pyrimidin-4-one, 6-hydroxy-2-{(E)-2-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]ethenyl}-5-nitropyrimidin-4(3H)-one
| Molecular Formula | C16H15N3O6 |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 2.1275 |
| Topological Polar Surface Area | 127.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.0961 |
| Heavy Atoms | 25 |
| Complexity | 887.9242 |
Chemical Identifiers
| CAS Number | 838817-76-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1OCC=C)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O |
Product Overview
(E)-2-(2-(allyloxy)-3-methoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 838817-76-8), with molecular formula C16H15N3O6 and molecular weight 345.10 g/mol. IUPAC: 4-hydroxy-2-[(E)-2-(3-methoxy-2-prop-2-enoxyphenyl)ethenyl]-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of (E)-2-(2-(allyloxy)-3-methoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
Property Insights of (E)-2-(2-(allyloxy)-3-methoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
The XLogP value of 2.1275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(2-(allyloxy)-3-methoxystyryl)-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-(2-(allyloxy)-3-methoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one. Following Lipinski's Rule of Five, (E)-2-(2-(allyloxy)-3-methoxystyryl)-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-(2-(allyloxy)-3-methoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The CAS number of (E)-2-(2-(allyloxy)-3-methoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is 838817-76-8.
What is the molecular formula of (E)-2-(2-(allyloxy)-3-methoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular formula of (E)-2-(2-(allyloxy)-3-methoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is C16H15N3O6.
What is the molecular weight of (E)-2-(2-(allyloxy)-3-methoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular weight of (E)-2-(2-(allyloxy)-3-methoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is 345.10 g/mol.
Where can I buy (E)-2-(2-(allyloxy)-3-methoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
You can request a quote for (E)-2-(2-(allyloxy)-3-methoxystyryl)-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-(2-(allyloxy)-3-methoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(2-(allyloxy)-3-methoxystyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.