5-Benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
TL;DR: 5-Benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole (CAS 443328-12-9) is a chemical compound with molecular formula C17H16N2O3 and molecular weight 296.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Also Known As: 5-benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole, BAS 03288388, 5-Benzyl-3-(3,4-dimethoxy-phenyl)-[1,2,4]oxadiazole
| Molecular Formula | C17H16N2O3 |
|---|---|
| Molecular Weight | 296.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.1161 |
| Heavy Atoms | 22 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 443328-12-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NOC(=N2)CC3=CC=CC=C3)OC |
| InChIKey | FOTRVLCQWOPQLU-UHFFFAOYSA-N |
Product Overview
5-Benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole (CAS 443328-12-9), with molecular formula C17H16N2O3 and molecular weight 296.12 g/mol. IUPAC: 5-benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 5-Benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Property Insights of 5-Benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
The XLogP value of 3.7 indicates that 5-Benzyl-3-(3,4-dimethoxyphenyl)-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 57.4 Ų, 5-Benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 5 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-Benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The CAS number of 5-Benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is 443328-12-9.
What is the molecular formula of 5-Benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The molecular formula of 5-Benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is C17H16N2O3.
What is the molecular weight of 5-Benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The molecular weight of 5-Benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole is 296.12 g/mol.
Where can I buy 5-Benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
You can request a quote for 5-Benzyl-3-(3,4-dimethoxyphenyl)-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-Benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.