(E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate
TL;DR: (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate (CAS 896077-38-6) is a chemical compound with molecular formula C16H11N3O5S and molecular weight 357.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-oxo-3-[(E)-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)iminomethyl]chromen-7-yl] acetate
Also Known As: (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate, [4-oxo-3-[(E)-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)iminomethyl]chromen-7-yl] acetate, 4-Oxo-3-{(E)-[(6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidin-4-yl)imino]methyl}-4H-1-benzopyran-7-yl acetate, Acetic acid 4-oxo-3-{[(E)-6-oxo-2-thioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylimino]-methyl}-4H-chromen-7-yl ester
| Molecular Formula | C16H11N3O5S |
|---|---|
| Molecular Weight | 357.04 g/mol |
| LogP | 2.21479 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.04193 |
| Heavy Atoms | 25 |
| Complexity | 1144.3342 |
Chemical Identifiers
| CAS Number | 896077-38-6 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)/C=N/C3=CC(=O)NC(=S)N3 |
Product Overview
(E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate (CAS 896077-38-6), with molecular formula C16H11N3O5S and molecular weight 357.04 g/mol. IUPAC: [4-oxo-3-[(E)-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)iminomethyl]chromen-7-yl] acetate.
Chemical Property Profile of (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate
Property Insights of (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate
The XLogP value of 2.21479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate. The TPSA of 117.52 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate. Following Lipinski's Rule of Five, (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-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 (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate?
The CAS number of (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate is 896077-38-6.
What is the molecular formula of (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate?
The molecular formula of (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate is C16H11N3O5S.
What is the molecular weight of (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate?
The molecular weight of (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate is 357.04 g/mol.
Where can I buy (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate?
You can request a quote for (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-oxo-3-(((6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino)methyl)-4H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.