(E)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-4H-chromen-7-yl acetate
TL;DR: (E)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-4H-chromen-7-yl acetate (CAS 899403-18-0) is a chemical compound with molecular formula C18H12N2O6S and molecular weight 384.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(E)-3-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)prop-1-enyl]-4-oxochromen-7-yl] acetate
Also Known As: (E)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-4H-chromen-7-yl acetate, [3-[(E)-3-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)prop-1-enyl]-4-oxochromen-7-yl] acetate
| Molecular Formula | C18H12N2O6S |
|---|---|
| Molecular Weight | 384.04 g/mol |
| LogP | 1.1888 |
| Topological Polar Surface Area | 114.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.0416 |
| Heavy Atoms | 27 |
| Complexity | 1090.5223 |
Chemical Identifiers
| CAS Number | 899403-18-0 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)/C=C/C=C3C(=O)NC(=S)NC3=O |
Product Overview
(E)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-4H-chromen-7-yl acetate (CAS 899403-18-0), with molecular formula C18H12N2O6S and molecular weight 384.04 g/mol. IUPAC: [3-[(E)-3-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)prop-1-enyl]-4-oxochromen-7-yl] acetate.
Chemical Property Profile of (E)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-4H-chromen-7-yl acetate
Property Insights of (E)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-4H-chromen-7-yl acetate
The XLogP value of 1.1888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-4H-chromen-7-yl acetate. The TPSA of 114.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-4H-chromen-7-yl acetate. Following Lipinski's Rule of Five, (E)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-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)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-4H-chromen-7-yl acetate?
The CAS number of (E)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-4H-chromen-7-yl acetate is 899403-18-0.
What is the molecular formula of (E)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-4H-chromen-7-yl acetate?
The molecular formula of (E)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-4H-chromen-7-yl acetate is C18H12N2O6S.
What is the molecular weight of (E)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-4H-chromen-7-yl acetate?
The molecular weight of (E)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-4H-chromen-7-yl acetate is 384.04 g/mol.
Where can I buy (E)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-4H-chromen-7-yl acetate?
You can request a quote for (E)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-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)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-4H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)prop-1-en-1-yl)-4-oxo-4H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.