3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate
TL;DR: 3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate (CAS 674367-03-4) is a chemical compound with molecular formula C16H10N2O6S and molecular weight 358.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-4-oxochromen-6-yl] acetate
Also Known As: 3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate, [3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-4-oxochromen-6-yl] acetate, 3-[(Z)-(6-hydroxy-4-oxo-2-sulfanylpyrimidin-5(4H)-ylidene)methyl]-4-oxo-4H-chromen-6-yl acetate
| Molecular Formula | C16H10N2O6S |
|---|---|
| Molecular Weight | 358.03 g/mol |
| LogP | 0.6326 |
| Topological Polar Surface Area | 114.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.02597 |
| Heavy Atoms | 25 |
| Complexity | 1014.587 |
Chemical Identifiers
| CAS Number | 674367-03-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)OC=C(C2=O)C=C3C(=O)NC(=S)NC3=O |
Product Overview
3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate (CAS 674367-03-4), with molecular formula C16H10N2O6S and molecular weight 358.03 g/mol. IUPAC: [3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-4-oxochromen-6-yl] acetate.
Chemical Property Profile of 3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate
Property Insights of 3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate
The XLogP value of 0.6326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate. The TPSA of 114.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate. Following Lipinski's Rule of Five, 3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate has 2 hydrogen bond donor(s) and 7 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-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate?
The CAS number of 3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate is 674367-03-4.
What is the molecular formula of 3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate?
The molecular formula of 3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate is C16H10N2O6S.
What is the molecular weight of 3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate?
The molecular weight of 3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate is 358.03 g/mol.
Where can I buy 3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate?
You can request a quote for 3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-((4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-4-oxo-4H-chromen-6-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.