![4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one structure](/static/products/7130/713080-92-3.webp)
4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one
TL;DR: 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one (CAS 713080-92-3) is a chemical compound with molecular formula C15H9N3O6 and molecular weight 327.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one
Also Known As: 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one, 6-Hydroxy-5-nitro-2-(2-(4-oxo-4H-chromen-3-yl)vinyl)pyrimidin-4(3H)-one, 6-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-3H-pyrimidin-4-one, 6-hydroxy-5-nitro-2-[(1E)-2-(4-oxo-4H-chromen-3-yl)ethenyl]-3,4-dihydropyrimidin-4-one
| Molecular Formula | C15H9N3O6 |
|---|---|
| Molecular Weight | 327.05 g/mol |
| LogP | 1.6605 |
| Topological Polar Surface Area | 139.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.04913 |
| Heavy Atoms | 24 |
| Complexity | 1096.295 |
Chemical Identifiers
| CAS Number | 713080-92-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O |
Product Overview
4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one (CAS 713080-92-3), with molecular formula C15H9N3O6 and molecular weight 327.05 g/mol. IUPAC: 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one.
Chemical Property Profile of 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one
Property Insights of 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one
The XLogP value of 1.6605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one. The TPSA of 139.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one. Following Lipinski's Rule of Five, 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-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 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one?
The CAS number of 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one is 713080-92-3.
What is the molecular formula of 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one?
The molecular formula of 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one is C15H9N3O6.
What is the molecular weight of 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one?
The molecular weight of 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one is 327.05 g/mol.
Where can I buy 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one?
You can request a quote for 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-5-nitro-2-[2-(4-oxochromen-3-yl)ethenyl]-1H-pyrimidin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.