TL;DR: Coumarin, 3-((morpholinocarbonyl)methyl)- (CAS 18144-54-2) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.1001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-morpholin-4-yl-2-oxoethyl)chromen-2-one
Also Known As: 3-Coumarinacetylmorpholide, 3-((Morpholinocarbonyl)methyl)coumarin, COUMARIN, 3-((MORPHOLINOCARBONYL)METHYL)-, 3-(2-morpholin-4-yl-2-oxoethyl)chromen-2-one, 3-(2-morpholino-2-oxoethyl)-2H-chromen-2-one
| Molecular Formula | C15H15NO4 |
| Molecular Weight | 273.1001 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.1001 Da |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
| SMILES | C1COCCN1C(=O)CC2=CC3=CC=CC=C3OC2=O |
| InChIKey | TWKXOZOQEDDSAN-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 3-((morpholinocarbonyl)methyl)-. With a topological polar surface area (TPSA) of 55.8 Ų, Coumarin, 3-((morpholinocarbonyl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin, 3-((morpholinocarbonyl)methyl)- has 0 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 Coumarin, 3-((morpholinocarbonyl)methyl)- is 18144-54-2.
The molecular formula of Coumarin, 3-((morpholinocarbonyl)methyl)- is C15H15NO4.
The molecular weight of Coumarin, 3-((morpholinocarbonyl)methyl)- is 273.1001 g/mol.
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