4-(Bromoacetyl)-5-methyl-3-phenylisoxazole
TL;DR: 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole (CAS 104777-61-9) is a chemical compound with molecular formula C12H10BrNO2 and molecular weight 278.9895 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethanone
Also Known As: 4-(bromoacetyl)-5-methyl-3-phenylisoxazole, 2-bromo-1-(5-methyl-3-phenylisoxazol-4-yl)ethan-1-one, 2-Bromo-1-(5-methyl-3-phenylisoxazol-4-yl)ethanone, 2-bromo-1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethanone, 4-(bromoacetyl)-5-methyl-3-phenylisoxasole
Technical Specifications
| Molecular Formula | C12H10BrNO2 |
| Molecular Weight | 278.9895 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.9895 Da |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)CBr |
| InChIKey | QKOOGOQWNSWJFQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole
Property Insights of 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole. With a topological polar surface area (TPSA) of 43.1 Ų, 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole has 0 hydrogen bond donor(s) and 3 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-(Bromoacetyl)-5-methyl-3-phenylisoxazole?
The CAS number of 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole is 104777-61-9.
What is the molecular formula of 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole?
The molecular formula of 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole is C12H10BrNO2.
What is the molecular weight of 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole?
The molecular weight of 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole is 278.9895 g/mol.
Where can I buy 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole?
You can request a quote for 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole?
Yes, CoreyChem provides custom synthesis services for 4-(Bromoacetyl)-5-methyl-3-phenylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.