TL;DR: (5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 1423118-32-4) is a chemical compound with molecular formula C14H12N2O3S and molecular weight 288.05685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (E)-1-allyl-5-((E)-3-(furan-2-yl)allylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C14H12N2O3S |
| Molecular Weight | 288.05685 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.05685 Da |
| Heavy Atoms | 20 |
| Complexity | 511.0 |
| SMILES | C=CCN1C(=O)/C(=C/C=C/C2=CC=CO2)/C(=O)NC1=S |
| InChIKey | WAAPMIBRCIPGTL-RBMCBPMHSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, (5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 1423118-32-4.
The molecular formula of (5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C14H12N2O3S.
The molecular weight of (5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 288.05685 g/mol.
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