5-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
TL;DR: 5-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole (CAS 680216-08-4) is a chemical compound with molecular formula C13H15ClN2O and molecular weight 250.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-chloro-2-methylpropan-2-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
Also Known As: 5-(2-CHLORO-1,1-DIMETHYLETHYL)-3-(3-METHYLPHENYL)-1,2,4-OXADIAZOLE, 8019AE, 5-(1-chloro-2-methylpropan-2-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole, 5-(1-Chloro-2-methylpropan-2-yl)-3-(m-tolyl)-1,2,4-oxadiazole, 5-(1-Chloro-2-methylprop-2-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
| Molecular Formula | C13H15ClN2O |
|---|---|
| Molecular Weight | 250.09 g/mol |
| LogP | 3.56142 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.0873 |
| Heavy Atoms | 17 |
| Complexity | 519.64294 |
Chemical Identifiers
| CAS Number | 680216-08-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NOC(=N2)C(C)(C)CCl |
Product Overview
5-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole (CAS 680216-08-4), with molecular formula C13H15ClN2O and molecular weight 250.09 g/mol. IUPAC: 5-(1-chloro-2-methylpropan-2-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
Property Insights of 5-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
The XLogP value of 3.56142 indicates that 5-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-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-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-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-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The CAS number of 5-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole is 680216-08-4.
What is the molecular formula of 5-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The molecular formula of 5-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole is C13H15ClN2O.
What is the molecular weight of 5-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The molecular weight of 5-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole is 250.09 g/mol.
Where can I buy 5-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
You can request a quote for 5-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-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-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Chloro-1,1-dimethylethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.