![(E)-2-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one structure](/static/products/862/862653-92-7.png)
(E)-2-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
TL;DR: (E)-2-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 862653-92-7) is a chemical compound with molecular formula C14H11N3O6 and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
Also Known As: (E)-2-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-5-nitropyrimidine-4,6-diol, 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one, 2-[2-(7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-3-yl)ethenyl]-6-hydroxy-5-nitro-3H-pyrimidin-4-one
| Molecular Formula | C14H11N3O6 |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 1.3253 |
| Topological Polar Surface Area | 127.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.0648 |
| Heavy Atoms | 23 |
| Complexity | 858.0765 |
Chemical Identifiers
| CAS Number | 862653-92-7 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O |
Product Overview
(E)-2-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 862653-92-7), with molecular formula C14H11N3O6 and molecular weight 317.06 g/mol. IUPAC: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of (E)-2-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
Property Insights of (E)-2-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one
The XLogP value of 1.3253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-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-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one. Following Lipinski's Rule of Five, (E)-2-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-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-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The CAS number of (E)-2-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is 862653-92-7.
What is the molecular formula of (E)-2-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular formula of (E)-2-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is C14H11N3O6.
What is the molecular weight of (E)-2-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular weight of (E)-2-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one is 317.06 g/mol.
Where can I buy (E)-2-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
You can request a quote for (E)-2-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-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-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.