3-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole
TL;DR: 3-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole (CAS 878442-48-9) is a chemical compound with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole
Also Known As: BAS 13791846, 3-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole, 3-(3,4-Dimethoxy-phenyl)-5-(2-methylsulfanyl-phenyl)-[1,2,4]oxadiazole, 3-(3,4-dimethoxyphenyl)-5-[2-(methylsulfanyl)phenyl]-1,2,4-oxadiazole
| Molecular Formula | C17H16N2O3S |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 4.1427 |
| Topological Polar Surface Area | 57.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.08817 |
| Heavy Atoms | 23 |
| Complexity | 817.1031 |
Chemical Identifiers
| CAS Number | 878442-48-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3SC)OC |
Product Overview
3-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole (CAS 878442-48-9), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole
Property Insights of 3-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole
The XLogP value of 4.1427 indicates that 3-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-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 57.38 Ų, 3-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 6 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-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole?
The CAS number of 3-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole is 878442-48-9.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole is C17H16N2O3S.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole is 328.09 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-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-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-5-(2-methylsulfanylphenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.