3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
TL;DR: 3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole (CAS 166179-37-9) is a chemical compound with molecular formula C9H6ClFN2O and molecular weight 212.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
Also Known As: 3-(chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole, 1,2,4-Oxadiazole, 3-(chloromethyl)-5-(4-fluorophenyl)-, L-Methionine methyl ester hydrochloride, 896-784-4, RefChem:275285
| Molecular Formula | C9H6ClFN2O |
|---|---|
| Molecular Weight | 212.02 g/mol |
| LogP | 2.6145 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.01527 |
| Heavy Atoms | 14 |
| Complexity | 426.63193 |
Chemical Identifiers
| CAS Number | 166179-37-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=NO2)CCl)F |
Product Overview
3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole (CAS 166179-37-9), with molecular formula C9H6ClFN2O and molecular weight 212.02 g/mol. IUPAC: 3-(chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
Property Insights of 3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
The XLogP value of 2.6145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole. With a topological polar surface area (TPSA) of 38.92 Ų, 3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Chloromethyl)-5-(4-fluorophenyl)-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-(4-fluorophenyl)-1,2,4-oxadiazole?
The CAS number of 3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole is 166179-37-9.
What is the molecular formula of 3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole?
The molecular formula of 3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole is C9H6ClFN2O.
What is the molecular weight of 3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole?
The molecular weight of 3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole is 212.02 g/mol.
Where can I buy 3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole?
You can request a quote for 3-(Chloromethyl)-5-(4-fluorophenyl)-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-(4-fluorophenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloromethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.