N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
TL;DR: N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide (CAS 704876-60-8) is a chemical compound with molecular formula C20H21N3O6 and molecular weight 399.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Also Known As: A3689/0156512, 3-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide, N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
| Molecular Formula | C20H21N3O6 |
|---|---|
| Molecular Weight | 399.14 g/mol |
| LogP | 2.701 |
| Topological Polar Surface Area | 104.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.14304 |
| Heavy Atoms | 29 |
| Complexity | 1001.63165 |
Chemical Identifiers
| CAS Number | 704876-60-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC(=O)C2=NC(=NO2)C3=CC(=C(C=C3)OC)OC)OC |
Product Overview
N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide (CAS 704876-60-8), with molecular formula C20H21N3O6 and molecular weight 399.14 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide.
Chemical Property Profile of N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
Property Insights of N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
The XLogP value of 2.701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide. The TPSA of 104.94 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide. Following Lipinski's Rule of Five, N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide 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 N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide?
The CAS number of N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide is 704876-60-8.
What is the molecular formula of N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide?
The molecular formula of N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide is C20H21N3O6.
What is the molecular weight of N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide?
The molecular weight of N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide is 399.14 g/mol.
Where can I buy N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide?
You can request a quote for N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxybenzyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.