Ethyl 4-(3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate
TL;DR: Ethyl 4-(3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate (CAS 833434-55-2) is a chemical compound with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
Also Known As: ethyl 4-(3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate, ethyl 4-({3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl}amino)benzoate, ethyl 4-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
| Molecular Formula | C21H21N3O4 |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 3.79302 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.1532 |
| Heavy Atoms | 28 |
| Complexity | 963.7919 |
Chemical Identifiers
| CAS Number | 833434-55-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3C |
Product Overview
Ethyl 4-(3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate (CAS 833434-55-2), with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol. IUPAC: ethyl 4-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate.
Chemical Property Profile of Ethyl 4-(3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate
Property Insights of Ethyl 4-(3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate
The XLogP value of 3.79302 indicates that Ethyl 4-(3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate has 1 hydrogen bond donor(s) and 6 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-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate?
The CAS number of Ethyl 4-(3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate is 833434-55-2.
What is the molecular formula of Ethyl 4-(3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate?
The molecular formula of Ethyl 4-(3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate is C21H21N3O4.
What is the molecular weight of Ethyl 4-(3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate?
The molecular weight of Ethyl 4-(3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate is 379.15 g/mol.
Where can I buy Ethyl 4-(3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate?
You can request a quote for Ethyl 4-(3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)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-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-(3-(o-tolyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.