Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate
TL;DR: Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate (CAS 159770-26-0) is a chemical compound with molecular formula C8H10BrNO3 and molecular weight 246.9844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate
Also Known As: Ethyl 5-bromomethyl-3-methylisoxazole-4-carboxylate, Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate, ethyl 5-(bromomethyl)-3-methylisoxazole-4-carboxylate, ethyl 5-bromomethyl-3-methyl-4-isoxazolecarboxylate, ethyl 5-(bromomethyl)-3-methyl-isoxazole-4-carboxylate
Technical Specifications
| Molecular Formula | C8H10BrNO3 |
| Molecular Weight | 246.9844 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.9844 Da |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
| SMILES | CCOC(=O)C1=C(ON=C1C)CBr |
| InChIKey | YAZBZCVAONLBJW-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate
Property Insights of Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate?
The CAS number of Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate is 159770-26-0.
What is the molecular formula of Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate?
The molecular formula of Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate is C8H10BrNO3.
What is the molecular weight of Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate?
The molecular weight of Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate is 246.9844 g/mol.
Where can I buy Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate?
You can request a quote for Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.