(E)-2-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
TL;DR: (E)-2-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 343354-76-7) is a chemical compound with molecular formula C12H8FN3O4 and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
Also Known As: BAS 08857184, AN-023/13586002, (E)-2-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-[2-(4-fluorophenyl)vinyl]-5-nitro-4,6-pyrimidinediol, 2-[(1E)-2-(4-fluorophenyl)vinyl]-5-nitropyrimidine-4,6-diol
| Molecular Formula | C12H8FN3O4 |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 1.6932 |
| Topological Polar Surface Area | 109.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0499 |
| Heavy Atoms | 20 |
| Complexity | 737.3579 |
Chemical Identifiers
| CAS Number | 343354-76-7 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)F |
Product Overview
(E)-2-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 343354-76-7), with molecular formula C12H8FN3O4 and molecular weight 277.05 g/mol. IUPAC: 2-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of (E)-2-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
Property Insights of (E)-2-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
The XLogP value of 1.6932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one. The TPSA of 109.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one. Following Lipinski's Rule of Five, (E)-2-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one has 2 hydrogen bond donor(s) and 5 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-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The CAS number of (E)-2-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is 343354-76-7.
What is the molecular formula of (E)-2-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular formula of (E)-2-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is C12H8FN3O4.
What is the molecular weight of (E)-2-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular weight of (E)-2-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is 277.05 g/mol.
Where can I buy (E)-2-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
You can request a quote for (E)-2-(4-fluorostyryl)-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-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(4-fluorostyryl)-6-hydroxy-5-nitropyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.