5-((4-oxo-4H-chromen-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-((4-oxo-4H-chromen-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 577762-88-0) is a chemical compound with molecular formula C14H8N2O4S and molecular weight 300.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-((4-oxo-4H-chromen-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[(4-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C14H8N2O4S |
|---|---|
| Molecular Weight | 300.02 g/mol |
| LogP | 0.7073 |
| Topological Polar Surface Area | 88.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.02048 |
| Heavy Atoms | 21 |
| Complexity | 859.91815 |
Chemical Identifiers
| CAS Number | 577762-88-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)C=C3C(=O)NC(=S)NC3=O |
Product Overview
5-((4-oxo-4H-chromen-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 577762-88-0), with molecular formula C14H8N2O4S and molecular weight 300.02 g/mol. IUPAC: 5-[(4-oxochromen-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-((4-oxo-4H-chromen-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-((4-oxo-4H-chromen-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 0.7073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((4-oxo-4H-chromen-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 88.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((4-oxo-4H-chromen-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-((4-oxo-4H-chromen-3-yl)methylene)-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 5-((4-oxo-4H-chromen-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-((4-oxo-4H-chromen-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 577762-88-0.
What is the molecular formula of 5-((4-oxo-4H-chromen-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-((4-oxo-4H-chromen-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C14H8N2O4S.
What is the molecular weight of 5-((4-oxo-4H-chromen-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-((4-oxo-4H-chromen-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 300.02 g/mol.
Where can I buy 5-((4-oxo-4H-chromen-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-((4-oxo-4H-chromen-3-yl)methylene)-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 5-((4-oxo-4H-chromen-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-oxo-4H-chromen-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.