![Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate structure](/static/products/5298/52980-64-0.webp)
Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate
TL;DR: Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate (CAS 52980-64-0) is a chemical compound with molecular formula C10H9N3O6S and molecular weight 299.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3-yl]acetate
Also Known As: Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate, ethyl 2-[5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3-yl]acetate, ethyl (5-(5-nitro-2-furyl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl)acetate, Ethyl [5-(5-nitro-2-furyl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate, ethyl 2-[5-(5-nitro-2-furyl)-2-oxo-1,3,4-thiadiazol-3-yl]acetate
| Molecular Formula | C10H9N3O6S |
|---|---|
| Molecular Weight | 299.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.0212 |
| Heavy Atoms | 20 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 52980-64-0 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)SC(=N1)C2=CC=C(O2)[N+](=O)[O-] |
| InChIKey | YWVDILPFGWJRCW-UHFFFAOYSA-N |
Product Overview
Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate (CAS 52980-64-0), with molecular formula C10H9N3O6S and molecular weight 299.02 g/mol. IUPAC: ethyl 2-[5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3-yl]acetate.
Chemical Property Profile of Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate
Property Insights of Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate. The TPSA of 143.0 Ų indicates high polarity, suggesting Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate has 0 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 [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate?
The CAS number of Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate is 52980-64-0.
What is the molecular formula of Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate?
The molecular formula of Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate is C10H9N3O6S.
What is the molecular weight of Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate?
The molecular weight of Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate is 299.02 g/mol.
Where can I buy Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate?
You can request a quote for Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [5-(5-nitrofuran-2-yl)-2-oxo-1,3,4-thiadiazol-3(2H)-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.