3-(Chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole
TL;DR: 3-(Chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole (CAS 259683-88-0) is a chemical compound with molecular formula C7H9ClN2O and molecular weight 172.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole
Also Known As: 3-(chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole, 1,2,4-oxadiazole, 3-(chloromethyl)-5-cyclobutyl-, 1,2,4-Oxadiazole,3-(chloromethyl)-5-cyclobutyl-(9CI), 1,2,4-Oxadiazole, 3-(chloromethyl)-5-cyclobutyl- (9CI), 962-871-1
| Molecular Formula | C7H9ClN2O |
|---|---|
| Molecular Weight | 172.04 g/mol |
| LogP | 2.0759 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.04034 |
| Heavy Atoms | 11 |
| Complexity | 244.34354 |
Chemical Identifiers
| CAS Number | 259683-88-0 |
|---|---|
| SMILES | C1CC(C1)C2=NC(=NO2)CCl |
Product Overview
3-(Chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole (CAS 259683-88-0), with molecular formula C7H9ClN2O and molecular weight 172.04 g/mol. IUPAC: 3-(chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole.
Chemical Property Profile of 3-(Chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole
Property Insights of 3-(Chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole
The XLogP value of 2.0759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole. With a topological polar surface area (TPSA) of 38.92 Ų, 3-(Chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 3 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-cyclobutyl-1,2,4-oxadiazole?
The CAS number of 3-(Chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole is 259683-88-0.
What is the molecular formula of 3-(Chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole?
The molecular formula of 3-(Chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole is C7H9ClN2O.
What is the molecular weight of 3-(Chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole?
The molecular weight of 3-(Chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole is 172.04 g/mol.
Where can I buy 3-(Chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole?
You can request a quote for 3-(Chloromethyl)-5-cyclobutyl-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-cyclobutyl-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloromethyl)-5-cyclobutyl-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.