(E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione
TL;DR: (E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione (CAS 717892-03-0) is a chemical compound with molecular formula C13H11N3O4S and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
Also Known As: (E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione, 6-{(E)-2-[4-(methylsulfanyl)phenyl]ethenyl}-5-nitropyrimidine-2,4-diol, 6-{2-[4-(methylthio)phenyl]vinyl}-5-nitro-2,4(1H,3H)-pyrimidinedione, 6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
| Molecular Formula | C13H11N3O4S |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 1.8637 |
| Topological Polar Surface Area | 108.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.04703 |
| Heavy Atoms | 21 |
| Complexity | 805.4015 |
Chemical Identifiers
| CAS Number | 717892-03-0 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-] |
Product Overview
(E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione (CAS 717892-03-0), with molecular formula C13H11N3O4S and molecular weight 305.05 g/mol. IUPAC: 6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione.
Chemical Property Profile of (E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione
Property Insights of (E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione
The XLogP value of 1.8637 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione. The TPSA of 108.86 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, (E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione 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 (E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione?
The CAS number of (E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione is 717892-03-0.
What is the molecular formula of (E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione?
The molecular formula of (E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione is C13H11N3O4S.
What is the molecular weight of (E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione?
The molecular weight of (E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione is 305.05 g/mol.
Where can I buy (E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione?
You can request a quote for (E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-6-(4-(methylthio)styryl)-5-nitropyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.