![2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol structure](/static/products/842/842956-34-7.png)
2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol
TL;DR: 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol (CAS 842956-34-7) is a chemical compound with molecular formula C11H9N3O4S and molecular weight 279.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitro-1H-pyrimidin-6-one
Also Known As: BAS 08854438, (E)-6-hydroxy-2-(2-(5-methylthiophen-2-yl)vinyl)-5-nitropyrimidin-4(3H)-one, 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol, 4-hydroxy-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitro-1H-pyrimidin-6-one
| Molecular Formula | C11H9N3O4S |
|---|---|
| Molecular Weight | 279.03 g/mol |
| LogP | 1.92402 |
| Topological Polar Surface Area | 109.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.03137 |
| Heavy Atoms | 19 |
| Complexity | 716.97064 |
Chemical Identifiers
| CAS Number | 842956-34-7 |
|---|---|
| SMILES | CC1=CC=C(S1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O |
Product Overview
2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol (CAS 842956-34-7), with molecular formula C11H9N3O4S and molecular weight 279.03 g/mol. IUPAC: 4-hydroxy-2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitro-1H-pyrimidin-6-one.
Chemical Property Profile of 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol
Property Insights of 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol
The XLogP value of 1.92402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol. The TPSA of 109.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol. Following Lipinski's Rule of Five, 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol has 2 hydrogen bond donor(s) and 6 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-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol?
The CAS number of 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol is 842956-34-7.
What is the molecular formula of 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol?
The molecular formula of 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol is C11H9N3O4S.
What is the molecular weight of 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol?
The molecular weight of 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol is 279.03 g/mol.
Where can I buy 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol?
You can request a quote for 2-[(E)-2-(5-methylthiophen-2-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-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.