3-(Bromomethyl)-5-methylisoxazole
TL;DR: 3-(Bromomethyl)-5-methylisoxazole (CAS 130628-75-0) is a chemical compound with molecular formula C5H6BrNO and molecular weight 174.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(bromomethyl)-5-methyl-1,2-oxazole
Also Known As: 3-(Bromomethyl)-5-methylisoxazole, 3-(bromomethyl)-5-methyl-1,2-oxazole, 3-Bromomethyl-5-methyl-isoxazole, zlchem 1313, Isoxazole, 3-(bromomethyl)-5-methyl-
| Molecular Formula | C5H6BrNO |
|---|---|
| Molecular Weight | 174.96 g/mol |
| LogP | 1.87792 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.96329 |
| Heavy Atoms | 8 |
| Complexity | 172.69153 |
Chemical Identifiers
| CAS Number | 130628-75-0 |
|---|---|
| SMILES | CC1=CC(=NO1)CBr |
Product Overview
3-(Bromomethyl)-5-methylisoxazole (CAS 130628-75-0), with molecular formula C5H6BrNO and molecular weight 174.96 g/mol. IUPAC: 3-(bromomethyl)-5-methyl-1,2-oxazole.
Chemical Property Profile of 3-(Bromomethyl)-5-methylisoxazole
Property Insights of 3-(Bromomethyl)-5-methylisoxazole
The XLogP value of 1.87792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Bromomethyl)-5-methylisoxazole. With a topological polar surface area (TPSA) of 26.03 Ų, 3-(Bromomethyl)-5-methylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Bromomethyl)-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 3-(Bromomethyl)-5-methylisoxazole?
The CAS number of 3-(Bromomethyl)-5-methylisoxazole is 130628-75-0.
What is the molecular formula of 3-(Bromomethyl)-5-methylisoxazole?
The molecular formula of 3-(Bromomethyl)-5-methylisoxazole is C5H6BrNO.
What is the molecular weight of 3-(Bromomethyl)-5-methylisoxazole?
The molecular weight of 3-(Bromomethyl)-5-methylisoxazole is 174.96 g/mol.
Where can I buy 3-(Bromomethyl)-5-methylisoxazole?
You can request a quote for 3-(Bromomethyl)-5-methylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Bromomethyl)-5-methylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Bromomethyl)-5-methylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.