![Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate structure](/static/products/896/896835-78-2.png)
Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate
TL;DR: Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate (CAS 896835-78-2) is a chemical compound with molecular formula C23H25N3O6 and molecular weight 439.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate
Also Known As: Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate, ethyl 4-({4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl}amino)benzoate, ethyl 4-(4-(3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)butanamido)benzoate
| Molecular Formula | C23H25N3O6 |
|---|---|
| Molecular Weight | 439.17 g/mol |
| LogP | 3.8919 |
| Topological Polar Surface Area | 112.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 439.17435 |
| Heavy Atoms | 32 |
| Complexity | 1061.8486 |
Chemical Identifiers
| CAS Number | 896835-78-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC |
Product Overview
Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate (CAS 896835-78-2), with molecular formula C23H25N3O6 and molecular weight 439.17 g/mol. IUPAC: ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate.
Chemical Property Profile of Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate
Property Insights of Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate
The XLogP value of 3.8919 indicates that Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate 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 Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate?
The CAS number of Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate is 896835-78-2.
What is the molecular formula of Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate?
The molecular formula of Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate is C23H25N3O6.
What is the molecular weight of Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate?
The molecular weight of Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate is 439.17 g/mol.
Where can I buy Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate?
You can request a quote for Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.