5-Trichloromethylisoxazole
TL;DR: 5-Trichloromethylisoxazole (CAS 88283-38-9) is a chemical compound with molecular formula C4H2Cl3NO and molecular weight 184.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(trichloromethyl)-1,2-oxazole
Also Known As: 5-trichloromethylisoxazole, 5-(Trichloromethyl)isoxazole, 5-trichloromethyl isoxazole, 5-(trichloromethyl)-1,2-oxazole, Isoxazole, 5-(trichloromethyl)-
| Molecular Formula | C4H2Cl3NO |
|---|---|
| Molecular Weight | 184.92 g/mol |
| LogP | 2.5013 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.9202 |
| Heavy Atoms | 9 |
| Complexity | 178.19286 |
Chemical Identifiers
| CAS Number | 88283-38-9 |
|---|---|
| SMILES | C1=C(ON=C1)C(Cl)(Cl)Cl |
Product Overview
5-Trichloromethylisoxazole (CAS 88283-38-9), with molecular formula C4H2Cl3NO and molecular weight 184.92 g/mol. IUPAC: 5-(trichloromethyl)-1,2-oxazole.
Chemical Property Profile of 5-Trichloromethylisoxazole
Property Insights of 5-Trichloromethylisoxazole
The XLogP value of 2.5013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Trichloromethylisoxazole. With a topological polar surface area (TPSA) of 26.03 Ų, 5-Trichloromethylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Trichloromethylisoxazole 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-Trichloromethylisoxazole?
The CAS number of 5-Trichloromethylisoxazole is 88283-38-9.
What is the molecular formula of 5-Trichloromethylisoxazole?
The molecular formula of 5-Trichloromethylisoxazole is C4H2Cl3NO.
What is the molecular weight of 5-Trichloromethylisoxazole?
The molecular weight of 5-Trichloromethylisoxazole is 184.92 g/mol.
Where can I buy 5-Trichloromethylisoxazole?
You can request a quote for 5-Trichloromethylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Trichloromethylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Trichloromethylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.