5-(Chloromethyl)-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole
TL;DR: 5-(Chloromethyl)-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole (CAS 117762-99-9) is a chemical compound with molecular formula C9H5Cl3N2O and molecular weight 261.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole
Also Known As: 3,4-Difluorothioanisole, 5-(chloromethyl)-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole, 1,2,4-Oxadiazole,5-(chloromethyl)-3-(2,6-dichlorophenyl)-, 1,2,4-Oxadiazole, 5-(chloromethyl)-3-(2,6-dichlorophenyl)-, 3-(2,6-dichlorophenyl)-5-(chloromethyl)-1,2,4-oxadiazole
| Molecular Formula | C9H5Cl3N2O |
|---|---|
| Molecular Weight | 261.95 g/mol |
| LogP | 3.7822 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.94675 |
| Heavy Atoms | 15 |
| Complexity | 463.70975 |
Chemical Identifiers
| CAS Number | 117762-99-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C2=NOC(=N2)CCl)Cl |
Product Overview
5-(Chloromethyl)-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole (CAS 117762-99-9), with molecular formula C9H5Cl3N2O and molecular weight 261.95 g/mol. IUPAC: 5-(chloromethyl)-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-(Chloromethyl)-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole
Property Insights of 5-(Chloromethyl)-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole
The XLogP value of 3.7822 indicates that 5-(Chloromethyl)-3-(2,6-dichlorophenyl)-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-(2,6-dichlorophenyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Chloromethyl)-3-(2,6-dichlorophenyl)-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-(2,6-dichlorophenyl)-1,2,4-oxadiazole?
The CAS number of 5-(Chloromethyl)-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole is 117762-99-9.
What is the molecular formula of 5-(Chloromethyl)-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole?
The molecular formula of 5-(Chloromethyl)-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole is C9H5Cl3N2O.
What is the molecular weight of 5-(Chloromethyl)-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole?
The molecular weight of 5-(Chloromethyl)-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole is 261.95 g/mol.
Where can I buy 5-(Chloromethyl)-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole?
You can request a quote for 5-(Chloromethyl)-3-(2,6-dichlorophenyl)-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-(2,6-dichlorophenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Chloromethyl)-3-(2,6-dichlorophenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.