![2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one structure](/static/products/842/842956-05-2.png)
2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
TL;DR: 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 842956-05-2) is a chemical compound with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
Also Known As: BAS 08851708, (E)-2-(2-(7-ethyl-1H-indol-3-yl)vinyl)-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one, 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-5-nitropyrimidine-4,6-diol, 2-[(1E)-2-(7-ethylindol-3-yl)vinyl]-6-hydroxy-5-nitro-3-hydropyrimidin-4-one
| Molecular Formula | C16H14N4O4 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 2.5978 |
| Topological Polar Surface Area | 124.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.1015 |
| Heavy Atoms | 24 |
| Complexity | 1016.5796 |
Chemical Identifiers
| CAS Number | 842956-05-2 |
|---|---|
| SMILES | CCC1=C2C(=CC=C1)C(=CN2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O |
Product Overview
2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one (CAS 842956-05-2), with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol. IUPAC: 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Property Insights of 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
The XLogP value of 2.5978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one. The TPSA of 124.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one has 3 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-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The CAS number of 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is 842956-05-2.
What is the molecular formula of 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular formula of 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is C16H14N4O4.
What is the molecular weight of 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
The molecular weight of 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one is 326.10 g/mol.
Where can I buy 2-[(E)-2-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
You can request a quote for 2-[(E)-2-(7-ethyl-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-(7-ethyl-1H-indol-3-yl)ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-2-(7-ethyl-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.