![Ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate structure](/static/products/896/896804-47-0.png)
Ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
TL;DR: Ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate (CAS 896804-47-0) is a chemical compound with molecular formula C22H23N3O6 and molecular weight 425.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
Also Known As: Ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate, ethyl 4-(3-(3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate, ethyl 4-({3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}amino)benzoate
| Molecular Formula | C22H23N3O6 |
|---|---|
| Molecular Weight | 425.16 g/mol |
| LogP | 3.5018 |
| Topological Polar Surface Area | 112.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.1587 |
| Heavy Atoms | 31 |
| Complexity | 1045.6548 |
Chemical Identifiers
| CAS Number | 896804-47-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC |
Product Overview
Ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate (CAS 896804-47-0), with molecular formula C22H23N3O6 and molecular weight 425.16 g/mol. IUPAC: ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate.
Chemical Property Profile of Ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
Property Insights of Ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
The XLogP value of 3.5018 indicates that Ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]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-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]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-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate?
The CAS number of Ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate is 896804-47-0.
What is the molecular formula of Ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate?
The molecular formula of Ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate is C22H23N3O6.
What is the molecular weight of Ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate?
The molecular weight of Ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate is 425.16 g/mol.
Where can I buy Ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate?
You can request a quote for Ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]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-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.