![2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one structure](/static/products/797/797779-64-7.png)
2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
TL;DR: 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 797779-64-7) is a chemical compound with molecular formula C21H16N4O4 and molecular weight 388.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
Also Known As: BAS 08882471, 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-5-nitropyrimidine-4,6-diol, (E)-2-(2-(1-benzyl-1H-indol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-[(E)-2-(1-Benzyl-1H-indol-3-yl)-vinyl]-6-hydroxy-5-nitro-3H-pyrimidin-4-one
| Molecular Formula | C21H16N4O4 |
|---|---|
| Molecular Weight | 388.12 g/mol |
| LogP | 3.5571 |
| Topological Polar Surface Area | 114.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.11716 |
| Heavy Atoms | 29 |
| Complexity | 1289.2826 |
Chemical Identifiers
| CAS Number | 797779-64-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=C/C4=NC(=C(C(=O)N4)[N+](=O)[O-])O |
Product Overview
2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 797779-64-7), with molecular formula C21H16N4O4 and molecular weight 388.12 g/mol. IUPAC: 2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Property Insights of 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
The XLogP value of 3.5571 indicates that 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-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 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The CAS number of 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is 797779-64-7.
What is the molecular formula of 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular formula of 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is C21H16N4O4.
What is the molecular weight of 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular weight of 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is 388.12 g/mol.
Where can I buy 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
You can request a quote for 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-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 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-2-(1-benzyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.