Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate
TL;DR: Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate (CAS 162192-18-9) is a chemical compound with molecular formula C7H8BrNO3 and molecular weight 232.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-bromo-3-methyl-1,2-oxazole-5-carboxylate
Also Known As: ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate, Ethyl 4-bromo-3-methyl-1,2-oxazole-5-carboxylate, 5-Isoxazolecarboxylicacid,4-bromo-3-methyl-,ethylester
| Molecular Formula | C7H8BrNO3 |
|---|---|
| Molecular Weight | 232.97 g/mol |
| LogP | 1.92222 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.96877 |
| Heavy Atoms | 12 |
| Complexity | 294.84164 |
Chemical Identifiers
| CAS Number | 162192-18-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NO1)C)Br |
Product Overview
Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate (CAS 162192-18-9), with molecular formula C7H8BrNO3 and molecular weight 232.97 g/mol. IUPAC: ethyl 4-bromo-3-methyl-1,2-oxazole-5-carboxylate.
Chemical Property Profile of Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate
Property Insights of Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate
The XLogP value of 1.92222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate. With a topological polar surface area (TPSA) of 52.33 Ų, Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate 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
Frequently Asked Questions
What is the CAS number of Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate?
The CAS number of Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate is 162192-18-9.
What is the molecular formula of Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate?
The molecular formula of Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate is C7H8BrNO3.
What is the molecular weight of Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate?
The molecular weight of Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate is 232.97 g/mol.
Where can I buy Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate?
You can request a quote for Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-bromo-3-methyl-5-isoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.