![3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one structure](/static/products/672/672944-84-2.png)
3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one
TL;DR: 3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one (CAS 672944-84-2) is a chemical compound with molecular formula C14H9N3O3S and molecular weight 299.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-(4-oxochromen-3-yl)methylideneamino]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: (E)-6-(((4-oxo-4H-chromen-3-yl)methylene)amino)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one
| Molecular Formula | C14H9N3O3S |
|---|---|
| Molecular Weight | 299.04 g/mol |
| LogP | 2.28949 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.03647 |
| Heavy Atoms | 21 |
| Complexity | 985.63336 |
Chemical Identifiers
| CAS Number | 672944-84-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)/C=N/C3=CC(=O)NC(=S)N3 |
Product Overview
3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one (CAS 672944-84-2), with molecular formula C14H9N3O3S and molecular weight 299.04 g/mol. IUPAC: 6-[(E)-(4-oxochromen-3-yl)methylideneamino]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one
Property Insights of 3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one
The XLogP value of 2.28949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one. Following Lipinski's Rule of Five, 3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one 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 3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one?
The CAS number of 3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one is 672944-84-2.
What is the molecular formula of 3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one?
The molecular formula of 3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one is C14H9N3O3S.
What is the molecular weight of 3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one?
The molecular weight of 3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one is 299.04 g/mol.
Where can I buy 3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one?
You can request a quote for 3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{(E)-[(6-hydroxy-2-sulfanylpyrimidin-4-yl)imino]methyl}-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.