3-(3,4-Dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole
TL;DR: 3-(3,4-Dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole (CAS 462085-54-7) is a chemical compound with molecular formula C17H15N3O5 and molecular weight 341.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole
Also Known As: 3-(3,4-dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole
| Molecular Formula | C17H15N3O5 |
|---|---|
| Molecular Weight | 341.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.10117 |
| Heavy Atoms | 25 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 462085-54-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=NC(=NO2)C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-] |
| InChIKey | XVNSLHIUTWRZNW-UHFFFAOYSA-N |
Product Overview
3-(3,4-Dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole (CAS 462085-54-7), with molecular formula C17H15N3O5 and molecular weight 341.10 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole
Property Insights of 3-(3,4-Dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole
The XLogP value of 3.6 indicates that 3-(3,4-Dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 7 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-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole?
The CAS number of 3-(3,4-Dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole is 462085-54-7.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole is C17H15N3O5.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole is 341.10 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-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-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.