(Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one
TL;DR: (Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one (CAS 339162-18-4) is a chemical compound with molecular formula C12H9N3O5 and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-[2-(4-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidin-6-one
Also Known As: (Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one, 4-hydroxy-2-[2-(4-hydroxyphenyl)vinyl]-5-nitro-1H-pyrimidin-6-one
| Molecular Formula | C12H9N3O5 |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 1.2597 |
| Topological Polar Surface Area | 129.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.05423 |
| Heavy Atoms | 20 |
| Complexity | 733.7483 |
Chemical Identifiers
| CAS Number | 339162-18-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)O |
Product Overview
(Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one (CAS 339162-18-4), with molecular formula C12H9N3O5 and molecular weight 275.05 g/mol. IUPAC: 4-hydroxy-2-[2-(4-hydroxyphenyl)ethenyl]-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of (Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one
Property Insights of (Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one
The XLogP value of 1.2597 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one. The TPSA of 129.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one. Following Lipinski's Rule of Five, (Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one has 3 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 (Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one?
The CAS number of (Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one is 339162-18-4.
What is the molecular formula of (Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one?
The molecular formula of (Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one is C12H9N3O5.
What is the molecular weight of (Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one?
The molecular weight of (Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one is 275.05 g/mol.
Where can I buy (Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one?
You can request a quote for (Z)-6-hydroxy-2-(4-hydroxystyryl)-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 (Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-6-hydroxy-2-(4-hydroxystyryl)-5-nitropyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.