Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate
TL;DR: Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate (CAS 104149-61-3) is a chemical compound with molecular formula C8H9NO4 and molecular weight 183.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate
Also Known As: METHYL 4-ACETYL-5-METHYLISOXAZOLE-3-CARBOXYLATE, methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate, 0964AA, 1-phenyl-1H-1,2,3-triazol-4-ol, SDCCGMLS-0066255.P001
Technical Specifications
| Molecular Formula | C8H9NO4 |
| Molecular Weight | 183.05316 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.05316 Da |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
| SMILES | CC1=C(C(=NO1)C(=O)OC)C(=O)C |
| InChIKey | PSCGIMFQGZJVFT-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate
Property Insights of Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate. Following Lipinski's Rule of Five, Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate has 0 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 Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate?
The CAS number of Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate is 104149-61-3.
What is the molecular formula of Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate?
The molecular formula of Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate is C8H9NO4.
What is the molecular weight of Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate?
The molecular weight of Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate is 183.05316 g/mol.
Where can I buy Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate?
You can request a quote for Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.