![2-{(E)-2-[1-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol structure](/static/products/797/797778-64-4.png)
2-{(E)-2-[1-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol
TL;DR: 2-{(E)-2-[1-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol (CAS 797778-64-4) is a chemical compound with molecular formula C22H18N4O4 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-[(E)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethenyl]-5-nitro-1H-pyrimidin-6-one
Also Known As: BAS 08852924, (E)-6-hydroxy-2-(2-(1-(4-methylbenzyl)-1H-indol-3-yl)vinyl)-5-nitropyrimidin-4(3H)-one, 2-{(E)-2-[1-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol, 2-((1E)-2-{1-[(4-methylphenyl)methyl]indol-3-yl}vinyl)-6-hydroxy-5-nitro-3-hyd ropyrimidin-4-one, 4-hydroxy-2-[(E)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethenyl]-5-nitro-1H-pyrimidin-6-one
| Molecular Formula | C22H18N4O4 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 3.86552 |
| Topological Polar Surface Area | 114.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.1328 |
| Heavy Atoms | 30 |
| Complexity | 1333.759 |
Chemical Identifiers
| CAS Number | 797778-64-4 |
|---|---|
| SMILES | CC1=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-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol (CAS 797778-64-4), with molecular formula C22H18N4O4 and molecular weight 402.13 g/mol. IUPAC: 4-hydroxy-2-[(E)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethenyl]-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of 2-{(E)-2-[1-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol
Property Insights of 2-{(E)-2-[1-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol
The XLogP value of 3.86552 indicates that 2-{(E)-2-[1-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol 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-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol. Following Lipinski's Rule of Five, 2-{(E)-2-[1-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol 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-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol?
The CAS number of 2-{(E)-2-[1-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol is 797778-64-4.
What is the molecular formula of 2-{(E)-2-[1-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol?
The molecular formula of 2-{(E)-2-[1-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol is C22H18N4O4.
What is the molecular weight of 2-{(E)-2-[1-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol?
The molecular weight of 2-{(E)-2-[1-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol is 402.13 g/mol.
Where can I buy 2-{(E)-2-[1-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol?
You can request a quote for 2-{(E)-2-[1-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol 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-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-{(E)-2-[1-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.