TL;DR: 7-methoxy-3-(1,2-oxazol-3-yl)-4H-chromen-4-one (CAS 134626-78-1) is a chemical compound with molecular formula C13H9NO4 and molecular weight 243.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methoxy-3-(1,2-oxazol-3-yl)chromen-4-one
Also Known As: 3-(3-isoxazolyl)-7-methoxychromone, 3-(isoxazol-3-yl)-7-methoxy-4H-chromen-4-one, 3-(3-Isoxazolyl)-7-methoxy-4H-chromen-4-one, 7-methoxy-3-(1,2-oxazol-3-yl)-4H-chromen-4-one, 7-methoxy-3-(1,2-oxazol-3-yl)chromen-4-one
| Molecular Formula | C13H9NO4 |
| Molecular Weight | 243.05316 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.05316 Da |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
| SMILES | COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=NOC=C3 |
| InChIKey | XCINEFKRVDPUGE-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methoxy-3-(1,2-oxazol-3-yl)-4H-chromen-4-one. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methoxy-3-(1,2-oxazol-3-yl)-4H-chromen-4-one. Following Lipinski's Rule of Five, 7-methoxy-3-(1,2-oxazol-3-yl)-4H-chromen-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-methoxy-3-(1,2-oxazol-3-yl)-4H-chromen-4-one is 134626-78-1.
The molecular formula of 7-methoxy-3-(1,2-oxazol-3-yl)-4H-chromen-4-one is C13H9NO4.
The molecular weight of 7-methoxy-3-(1,2-oxazol-3-yl)-4H-chromen-4-one is 243.05316 g/mol.
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