4-(Bromomethyl)-3-methyl-5-phenylisoxazole
TL;DR: 4-(Bromomethyl)-3-methyl-5-phenylisoxazole (CAS 113842-35-6) is a chemical compound with molecular formula C11H10BrNO and molecular weight 250.99458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole
Also Known As: 4-(bromomethyl)-3-methyl-5-phenylisoxazole, 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole, 4-Bromomethyl-3-methyl-5-phenylisoxazole, Isoxazole, 4-(bromomethyl)-3-methyl-5-phenyl-, 4-(bromomethyl)-3-methyl-5-phenyl-isoxazole
Technical Specifications
| Molecular Formula | C11H10BrNO |
| Molecular Weight | 250.99458 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.99458 Da |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
| SMILES | CC1=NOC(=C1CBr)C2=CC=CC=C2 |
| InChIKey | KCGVZUOBUPWFJC-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Bromomethyl)-3-methyl-5-phenylisoxazole
Property Insights of 4-(Bromomethyl)-3-methyl-5-phenylisoxazole
The XLogP value of 3.0 indicates that 4-(Bromomethyl)-3-methyl-5-phenylisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 4-(Bromomethyl)-3-methyl-5-phenylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Bromomethyl)-3-methyl-5-phenylisoxazole has 0 hydrogen bond donor(s) and 2 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-(Bromomethyl)-3-methyl-5-phenylisoxazole?
The CAS number of 4-(Bromomethyl)-3-methyl-5-phenylisoxazole is 113842-35-6.
What is the molecular formula of 4-(Bromomethyl)-3-methyl-5-phenylisoxazole?
The molecular formula of 4-(Bromomethyl)-3-methyl-5-phenylisoxazole is C11H10BrNO.
What is the molecular weight of 4-(Bromomethyl)-3-methyl-5-phenylisoxazole?
The molecular weight of 4-(Bromomethyl)-3-methyl-5-phenylisoxazole is 250.99458 g/mol.
Where can I buy 4-(Bromomethyl)-3-methyl-5-phenylisoxazole?
You can request a quote for 4-(Bromomethyl)-3-methyl-5-phenylisoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Bromomethyl)-3-methyl-5-phenylisoxazole?
Yes, CoreyChem provides custom synthesis services for 4-(Bromomethyl)-3-methyl-5-phenylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.