7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one
TL;DR: 7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one (CAS 153134-81-7) 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-hydroxy-2-methyl-3-(1,2-oxazol-3-yl)chromen-4-one
Also Known As: 7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one, 7-hydroxy-2-methyl-3-(1,2-oxazol-3-yl)chromen-4-one
Technical Specifications
| Molecular Formula | C13H9NO4 |
| Molecular Weight | 243.05316 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.05316 Da |
| Heavy Atoms | 18 |
| Complexity | 392.0 |
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=NOC=C3 |
| InChIKey | PQDHZNKCBRSBHH-UHFFFAOYSA-N |
Chemical Property Profile of 7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one
Property Insights of 7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one. Following Lipinski's Rule of Five, 7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one?
The CAS number of 7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one is 153134-81-7.
What is the molecular formula of 7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one?
The molecular formula of 7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one is C13H9NO4.
What is the molecular weight of 7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one?
The molecular weight of 7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one is 243.05316 g/mol.
Where can I buy 7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one?
You can request a quote for 7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one?
Yes, CoreyChem provides custom synthesis services for 7-hydroxy-3-(isoxazol-3-yl)-2-methyl-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.