(4-Methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
TL;DR: (4-Methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate (CAS 1004075-09-5) is a chemical compound with molecular formula C16H13NO5 and molecular weight 299.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
Also Known As: (4-methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate, 4-Isoxazolecarboxylic acid, 3,5-dimethyl-, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
Technical Specifications
| Molecular Formula | C16H13NO5 |
| Molecular Weight | 299.07938 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 78.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.07938 Da |
| Heavy Atoms | 22 |
| Complexity | 503.0 |
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=C(ON=C3C)C |
| InChIKey | HJBDMQSNZSBKLN-UHFFFAOYSA-N |
Chemical Property Profile of (4-Methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
Property Insights of (4-Methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate. Following Lipinski's Rule of Five, (4-Methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (4-Methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The CAS number of (4-Methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate is 1004075-09-5.
What is the molecular formula of (4-Methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The molecular formula of (4-Methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate is C16H13NO5.
What is the molecular weight of (4-Methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The molecular weight of (4-Methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate is 299.07938 g/mol.
Where can I buy (4-Methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
You can request a quote for (4-Methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for (4-Methyl-2-oxochromen-7-yl) 3,5-dimethyl-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.