5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
TL;DR: 5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CAS 57692-32-7) is a chemical compound with molecular formula C10H9ClN2O2 and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
Also Known As: 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole, 5-Chloromethyl-3-(4-methoxyphenyl)-[1,2,4]oxadiazole, 5- -3- -1,2,4-OXADIAZOLE, 1,2,4-OXADIAZOLE, 5-(CHLOROMETHYL)-3-(4-METHOXYPHENYL)-, 5-Chloromethyl-3-(4-methoxyphenyl)-[1,2,4] oxadiazole
| Molecular Formula | C10H9ClN2O2 |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 48.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.03525 |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 57692-32-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NOC(=N2)CCl |
| InChIKey | DNEALSFRYSYSDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CAS 57692-32-7), with molecular formula C10H9ClN2O2 and molecular weight 224.04 g/mol. IUPAC: 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
Property Insights of 5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole. With a topological polar surface area (TPSA) of 48.2 Ų, 5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 4 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-(4-methoxyphenyl)-1,2,4-oxadiazole?
The CAS number of 5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is 57692-32-7.
What is the molecular formula of 5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The molecular formula of 5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is C10H9ClN2O2.
What is the molecular weight of 5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The molecular weight of 5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is 224.04 g/mol.
Where can I buy 5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
You can request a quote for 5-(Chloromethyl)-3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.