5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
TL;DR: 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole (CAS 51802-78-9) is a chemical compound with molecular formula C9H6Cl2N2O and molecular weight 227.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
Also Known As: 5-(chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole, 5-Chloromethyl-3-(3-chloro-phenyl)-[1,2,4]oxadiazole, 5- -3- -1,2,4-OXADIAZOLE, 5-Chlormethyl-3-<3-chlor-phenyl>-1,2,4-oxadiazol, 1,2,4-Oxadiazole,5-(chloromethyl)-3-(3-chlorophenyl)-
| Molecular Formula | C9H6Cl2N2O |
|---|---|
| Molecular Weight | 227.99 g/mol |
| LogP | 3.1288 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.98572 |
| Heavy Atoms | 14 |
| Complexity | 441.88193 |
Chemical Identifiers
| CAS Number | 51802-78-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NOC(=N2)CCl |
Product Overview
5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole (CAS 51802-78-9), with molecular formula C9H6Cl2N2O and molecular weight 227.99 g/mol. IUPAC: 5-(chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
Property Insights of 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
The XLogP value of 3.1288 indicates that 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.92 Ų, 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Chloromethyl)-3-(3-chlorophenyl)-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 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The CAS number of 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole is 51802-78-9.
What is the molecular formula of 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The molecular formula of 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole is C9H6Cl2N2O.
What is the molecular weight of 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The molecular weight of 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole is 227.99 g/mol.
Where can I buy 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole?
You can request a quote for 5-(Chloromethyl)-3-(3-chlorophenyl)-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 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Chloromethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.