(E)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one
TL;DR: (E)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one (CAS 872545-99-8) is a chemical compound with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-[(E)-2-[4-(2-methylpropoxy)phenyl]ethenyl]-5-nitro-1H-pyrimidin-6-one
Also Known As: (E)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one, 4-hydroxy-2-[(E)-2-[4-(2-methylpropoxy)phenyl]ethenyl]-5-nitro-1H-pyrimidin-6-one, 6-hydroxy-2-[2-[4-(2-methylpropoxy)phenyl]ethenyl]-5-nitro-3H-pyrimidin-4-one, 6-hydroxy-2-{(E)-2-[4-(2-methylpropoxy)phenyl]ethenyl}-5-nitropyrimidin-4(3H)-one
| Molecular Formula | C16H17N3O5 |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 2.5889 |
| Topological Polar Surface Area | 118.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.11682 |
| Heavy Atoms | 24 |
| Complexity | 809.4529 |
Chemical Identifiers
| CAS Number | 872545-99-8 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O |
Product Overview
(E)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one (CAS 872545-99-8), with molecular formula C16H17N3O5 and molecular weight 331.12 g/mol. IUPAC: 4-hydroxy-2-[(E)-2-[4-(2-methylpropoxy)phenyl]ethenyl]-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of (E)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one
Property Insights of (E)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one
The XLogP value of 2.5889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one. The TPSA of 118.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one. Following Lipinski's Rule of Five, (E)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one has 2 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 (E)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one?
The CAS number of (E)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one is 872545-99-8.
What is the molecular formula of (E)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one?
The molecular formula of (E)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one is C16H17N3O5.
What is the molecular weight of (E)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one?
The molecular weight of (E)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one is 331.12 g/mol.
Where can I buy (E)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one?
You can request a quote for (E)-6-hydroxy-2-(4-isobutoxystyryl)-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)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-hydroxy-2-(4-isobutoxystyryl)-5-nitropyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.