![2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide structure](/static/products/831/831213-83-3.png)
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide
TL;DR: 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide (CAS 831213-83-3) is a chemical compound with molecular formula C23H18N4O6 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide
Also Known As: 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide, 2-(3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)-N-(4-nitrophenyl)benzamide
| Molecular Formula | C23H18N4O6 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 4.5813 |
| Topological Polar Surface Area | 129.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.12262 |
| Heavy Atoms | 33 |
| Complexity | 1316.7935 |
Chemical Identifiers
| CAS Number | 831213-83-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)[N+](=O)[O-])OC |
Product Overview
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide (CAS 831213-83-3), with molecular formula C23H18N4O6 and molecular weight 446.12 g/mol. IUPAC: 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide.
Chemical Property Profile of 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide
Property Insights of 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide
The XLogP value of 4.5813 indicates that 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide. Following Lipinski's Rule of Five, 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide has 1 hydrogen bond donor(s) and 8 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 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide?
The CAS number of 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide is 831213-83-3.
What is the molecular formula of 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide?
The molecular formula of 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide is C23H18N4O6.
What is the molecular weight of 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide?
The molecular weight of 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide is 446.12 g/mol.
Where can I buy 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide?
You can request a quote for 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-nitrophenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.