3-Bromo-5-(chloromethyl)isoxazole
TL;DR: 3-Bromo-5-(chloromethyl)isoxazole (CAS 124499-05-4) is a chemical compound with molecular formula C4H3BrClNO and molecular weight 194.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-(chloromethyl)-1,2-oxazole
Also Known As: 3-Bromo-5-(chloromethyl)isoxazole, 3-bromo-5-(chloromethyl)-1,2-oxazole, CARBAMOYL-LEU-OH, 3-Bromo-5-chloromethyl-isoxazole, 5-(chloromethyl)-3-bromoisoxazole
| Molecular Formula | C4H3BrClNO |
|---|---|
| Molecular Weight | 194.91 g/mol |
| LogP | 2.1759 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.90865 |
| Heavy Atoms | 8 |
| Complexity | 176.30116 |
Chemical Identifiers
| CAS Number | 124499-05-4 |
|---|---|
| SMILES | C1=C(ON=C1Br)CCl |
Product Overview
3-Bromo-5-(chloromethyl)isoxazole (CAS 124499-05-4), with molecular formula C4H3BrClNO and molecular weight 194.91 g/mol. IUPAC: 3-bromo-5-(chloromethyl)-1,2-oxazole.
Chemical Property Profile of 3-Bromo-5-(chloromethyl)isoxazole
Property Insights of 3-Bromo-5-(chloromethyl)isoxazole
The XLogP value of 2.1759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-5-(chloromethyl)isoxazole. With a topological polar surface area (TPSA) of 26.03 Ų, 3-Bromo-5-(chloromethyl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-(chloromethyl)isoxazole 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-Bromo-5-(chloromethyl)isoxazole?
The CAS number of 3-Bromo-5-(chloromethyl)isoxazole is 124499-05-4.
What is the molecular formula of 3-Bromo-5-(chloromethyl)isoxazole?
The molecular formula of 3-Bromo-5-(chloromethyl)isoxazole is C4H3BrClNO.
What is the molecular weight of 3-Bromo-5-(chloromethyl)isoxazole?
The molecular weight of 3-Bromo-5-(chloromethyl)isoxazole is 194.91 g/mol.
Where can I buy 3-Bromo-5-(chloromethyl)isoxazole?
You can request a quote for 3-Bromo-5-(chloromethyl)isoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-5-(chloromethyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-(chloromethyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.