![6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol structure](/static/products/797/797772-54-4.png)
6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol
TL;DR: 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol (CAS 797772-54-4) 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.
6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
Also Known As: 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol, BAS 08187308, 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione, 6-[(1E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol, 6-[(E)-2-(3-methyl-2-thienyl)vinyl]-5-nitro-1H-pyrimidine-2,4-dione
| Molecular Formula | C11H9N3O4S |
|---|---|
| Molecular Weight | 279.03 g/mol |
| LogP | 1.51172 |
| Topological Polar Surface Area | 108.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.03137 |
| Heavy Atoms | 19 |
| Complexity | 768.73285 |
Chemical Identifiers
| CAS Number | 797772-54-4 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-] |
Product Overview
6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol (CAS 797772-54-4), with molecular formula C11H9N3O4S and molecular weight 279.03 g/mol. IUPAC: 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol
Property Insights of 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol
The XLogP value of 1.51172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol. The TPSA of 108.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol. Following Lipinski's Rule of Five, 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-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 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol?
The CAS number of 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol is 797772-54-4.
What is the molecular formula of 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol?
The molecular formula of 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol is C11H9N3O4S.
What is the molecular weight of 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol?
The molecular weight of 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol is 279.03 g/mol.
Where can I buy 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol?
You can request a quote for 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 6-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5-nitropyrimidine-2,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.