Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
TL;DR: Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate (CAS 96898-36-1) is a chemical compound with molecular formula C11H9N3O5 and molecular weight 263.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
Also Known As: ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate, Maybridge1_008471, 98N361, 5-ethoxycarbonyl-3-(4-nitrophenyl)-1,2,4-oxadiazole, ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-car-boxylate
| Molecular Formula | C11H9N3O5 |
|---|---|
| Molecular Weight | 263.05 g/mol |
| LogP | 1.8215 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.05423 |
| Heavy Atoms | 19 |
| Complexity | 605.04816 |
Chemical Identifiers
| CAS Number | 96898-36-1 |
|---|---|
| SMILES | CCOC(=O)C1=NC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate (CAS 96898-36-1), with molecular formula C11H9N3O5 and molecular weight 263.05 g/mol. IUPAC: ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate.
Chemical Property Profile of Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
Property Insights of Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
The XLogP value of 1.8215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate. The TPSA of 108.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate has 0 hydrogen bond donor(s) and 7 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 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate?
The CAS number of Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate is 96898-36-1.
What is the molecular formula of Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate?
The molecular formula of Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate is C11H9N3O5.
What is the molecular weight of Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate?
The molecular weight of Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate is 263.05 g/mol.
Where can I buy Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate?
You can request a quote for Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.