4-(Bromomethyl)-5-methyl-3-phenylisoxazole
TL;DR: 4-(Bromomethyl)-5-methyl-3-phenylisoxazole (CAS 180597-83-5) is a chemical compound with molecular formula C11H10BrNO and molecular weight 250.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
Also Known As: 4-(Bromomethyl)-5-methyl-3-phenylisoxazole, 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole, Isoxazole, 4-(bromomethyl)-5-methyl-3-phenyl-, 4-Bromomethyl-5-methyl-3-phenylisoxazole, 4-bromomethyl-5-methyl-3-phenyl-isoxazole
| Molecular Formula | C11H10BrNO |
|---|---|
| Molecular Weight | 250.99 g/mol |
| LogP | 3.54492 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.99458 |
| Heavy Atoms | 14 |
| Complexity | 422.1075 |
Chemical Identifiers
| CAS Number | 180597-83-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)CBr |
Product Overview
4-(Bromomethyl)-5-methyl-3-phenylisoxazole (CAS 180597-83-5), with molecular formula C11H10BrNO and molecular weight 250.99 g/mol. IUPAC: 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole.
Chemical Property Profile of 4-(Bromomethyl)-5-methyl-3-phenylisoxazole
Property Insights of 4-(Bromomethyl)-5-methyl-3-phenylisoxazole
The XLogP value of 3.54492 indicates that 4-(Bromomethyl)-5-methyl-3-phenylisoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.03 Ų, 4-(Bromomethyl)-5-methyl-3-phenylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Bromomethyl)-5-methyl-3-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
Frequently Asked Questions
What is the CAS number of 4-(Bromomethyl)-5-methyl-3-phenylisoxazole?
The CAS number of 4-(Bromomethyl)-5-methyl-3-phenylisoxazole is 180597-83-5.
What is the molecular formula of 4-(Bromomethyl)-5-methyl-3-phenylisoxazole?
The molecular formula of 4-(Bromomethyl)-5-methyl-3-phenylisoxazole is C11H10BrNO.
What is the molecular weight of 4-(Bromomethyl)-5-methyl-3-phenylisoxazole?
The molecular weight of 4-(Bromomethyl)-5-methyl-3-phenylisoxazole is 250.99 g/mol.
Where can I buy 4-(Bromomethyl)-5-methyl-3-phenylisoxazole?
You can request a quote for 4-(Bromomethyl)-5-methyl-3-phenylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Bromomethyl)-5-methyl-3-phenylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bromomethyl)-5-methyl-3-phenylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.