5-(Chloromethyl)isoxazole
TL;DR: 5-(Chloromethyl)isoxazole (CAS 57777-33-0) is a chemical compound with molecular formula C4H4ClNO and molecular weight 117.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-1,2-oxazole
Also Known As: 5-(Chloromethyl)isoxazole, 5-Chloromethyl-isoxazole, 5-(chloromethyl)-1,2-oxazole, 5-chloromethylisoxazole, 5-CHLOROMETHYL ISOXAZOLE
| Molecular Formula | C4H4ClNO |
|---|---|
| Molecular Weight | 117.00 g/mol |
| LogP | 1.4134 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 116.99814 |
| Heavy Atoms | 7 |
| Complexity | 126.245735 |
Chemical Identifiers
| CAS Number | 57777-33-0 |
|---|---|
| SMILES | C1=C(ON=C1)CCl |
Product Overview
5-(Chloromethyl)isoxazole (CAS 57777-33-0), with molecular formula C4H4ClNO and molecular weight 117.00 g/mol. IUPAC: 5-(chloromethyl)-1,2-oxazole.
Chemical Property Profile of 5-(Chloromethyl)isoxazole
Property Insights of 5-(Chloromethyl)isoxazole
The XLogP value of 1.4134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Chloromethyl)isoxazole. With a topological polar surface area (TPSA) of 26.03 Ų, 5-(Chloromethyl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 5-(Chloromethyl)isoxazole?
The CAS number of 5-(Chloromethyl)isoxazole is 57777-33-0.
What is the molecular formula of 5-(Chloromethyl)isoxazole?
The molecular formula of 5-(Chloromethyl)isoxazole is C4H4ClNO.
What is the molecular weight of 5-(Chloromethyl)isoxazole?
The molecular weight of 5-(Chloromethyl)isoxazole is 117.00 g/mol.
Where can I buy 5-(Chloromethyl)isoxazole?
You can request a quote for 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 5-(Chloromethyl)isoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Chloromethyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.