4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole
TL;DR: 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole (CAS 287176-81-2) is a chemical compound with molecular formula C11H8BrCl2NO and molecular weight 318.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(bromomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole
Also Known As: 4-(bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole, 2,4,5-trifluorobenzesulfonamide, 4-(bromomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole, 4-(bromomethyl)-3-(2,6-dichlorophenyl)-5-methyl-isoxazole, 4-bromomethyl-3-(2,6-dichloro-phenyl)-5-methyl-isoxazole
| Molecular Formula | C11H8BrCl2NO |
|---|---|
| Molecular Weight | 318.92 g/mol |
| LogP | 4.85172 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.91663 |
| Heavy Atoms | 16 |
| Complexity | 504.44827 |
Chemical Identifiers
| CAS Number | 287176-81-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)CBr |
Product Overview
4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole (CAS 287176-81-2), with molecular formula C11H8BrCl2NO and molecular weight 318.92 g/mol. IUPAC: 4-(bromomethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole.
Chemical Property Profile of 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole
Property Insights of 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole
The XLogP value of 4.85172 indicates that 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole 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)-3-(2,6-dichlorophenyl)-5-methylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole 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)-3-(2,6-dichlorophenyl)-5-methylisoxazole?
The CAS number of 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole is 287176-81-2.
What is the molecular formula of 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole?
The molecular formula of 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole is C11H8BrCl2NO.
What is the molecular weight of 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole?
The molecular weight of 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole is 318.92 g/mol.
Where can I buy 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole?
You can request a quote for 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bromomethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.