4-(2-Chloroethyl)-3,5-dimethylisoxazole
TL;DR: 4-(2-Chloroethyl)-3,5-dimethylisoxazole (CAS 79379-02-5) is a chemical compound with molecular formula C7H10ClNO and molecular weight 159.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloroethyl)-3,5-dimethyl-1,2-oxazole
Also Known As: 4-(2-chloroethyl)-3,5-dimethylisoxazole, 4-(2-chloroethyl)-3,5-dimethyl-1,2-oxazole, 4-(2-Chloro-ethyl)-3,5-dimethyl-isoxazole, Isoxazole, 4-(2-chloroethyl)-3,5-dimethyl- (9CI), 4-(2-chloroethyl)-3,5-dimethyl-isoxazole
| Molecular Formula | C7H10ClNO |
|---|---|
| Molecular Weight | 159.05 g/mol |
| LogP | 2.07274 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.04509 |
| Heavy Atoms | 10 |
| Complexity | 199.88072 |
Chemical Identifiers
| CAS Number | 79379-02-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)CCCl |
Product Overview
4-(2-Chloroethyl)-3,5-dimethylisoxazole (CAS 79379-02-5), with molecular formula C7H10ClNO and molecular weight 159.05 g/mol. IUPAC: 4-(2-chloroethyl)-3,5-dimethyl-1,2-oxazole.
Chemical Property Profile of 4-(2-Chloroethyl)-3,5-dimethylisoxazole
Property Insights of 4-(2-Chloroethyl)-3,5-dimethylisoxazole
The XLogP value of 2.07274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Chloroethyl)-3,5-dimethylisoxazole. With a topological polar surface area (TPSA) of 26.03 Ų, 4-(2-Chloroethyl)-3,5-dimethylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Chloroethyl)-3,5-dimethylisoxazole 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-(2-Chloroethyl)-3,5-dimethylisoxazole?
The CAS number of 4-(2-Chloroethyl)-3,5-dimethylisoxazole is 79379-02-5.
What is the molecular formula of 4-(2-Chloroethyl)-3,5-dimethylisoxazole?
The molecular formula of 4-(2-Chloroethyl)-3,5-dimethylisoxazole is C7H10ClNO.
What is the molecular weight of 4-(2-Chloroethyl)-3,5-dimethylisoxazole?
The molecular weight of 4-(2-Chloroethyl)-3,5-dimethylisoxazole is 159.05 g/mol.
Where can I buy 4-(2-Chloroethyl)-3,5-dimethylisoxazole?
You can request a quote for 4-(2-Chloroethyl)-3,5-dimethylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Chloroethyl)-3,5-dimethylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chloroethyl)-3,5-dimethylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.