3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole
TL;DR: 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole (CAS 175205-42-2) is a chemical compound with molecular formula C8H8ClN3O2 and molecular weight 213.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
Also Known As: 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole, BUTTPARK 30\09-98, 3-(chloromethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole, K-5381, 1,2,4-Oxadiazole, 3-(chloromethyl)-5-(3,5-dimethyl-4-isoxazolyl)-
| Molecular Formula | C8H8ClN3O2 |
|---|---|
| Molecular Weight | 213.03 g/mol |
| LogP | 2.08024 |
| Topological Polar Surface Area | 64.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.0305 |
| Heavy Atoms | 14 |
| Complexity | 429.63104 |
Chemical Identifiers
| CAS Number | 175205-42-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)C2=NC(=NO2)CCl |
Product Overview
3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole (CAS 175205-42-2), with molecular formula C8H8ClN3O2 and molecular weight 213.03 g/mol. IUPAC: 3-(chloromethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole.
Chemical Property Profile of 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole
Property Insights of 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole
The XLogP value of 2.08024 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole. The TPSA of 64.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 5 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-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole?
The CAS number of 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole is 175205-42-2.
What is the molecular formula of 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole?
The molecular formula of 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole is C8H8ClN3O2.
What is the molecular weight of 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole?
The molecular weight of 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole is 213.03 g/mol.
Where can I buy 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole?
You can request a quote for 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.