(E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: (E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 799799-97-6) is a chemical compound with molecular formula C16H9FN2O4S and molecular weight 344.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(E)-3-(6-fluoro-4-oxochromen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(E)-3-(6-fluoro-4-oxochromen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C16H9FN2O4S |
|---|---|
| Molecular Weight | 344.03 g/mol |
| LogP | 1.4026 |
| Topological Polar Surface Area | 88.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.0267 |
| Heavy Atoms | 24 |
| Complexity | 984.79474 |
Chemical Identifiers
| CAS Number | 799799-97-6 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)C(=O)C(=CO2)/C=C/C=C3C(=O)NC(=S)NC3=O |
Product Overview
(E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 799799-97-6), with molecular formula C16H9FN2O4S and molecular weight 344.03 g/mol. IUPAC: 5-[(E)-3-(6-fluoro-4-oxochromen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of (E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 1.4026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 88.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-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)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of (E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 799799-97-6.
What is the molecular formula of (E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of (E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C16H9FN2O4S.
What is the molecular weight of (E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of (E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 344.03 g/mol.
Where can I buy (E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for (E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3-(6-fluoro-4-oxo-4H-chromen-3-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.