5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one
TL;DR: 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one (CAS 54966-52-8) is a chemical compound with molecular formula C4H2N4O4 and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one
Also Known As: 2,2'-bi-1,3,4-oxadiazole-5,5'(4h,4'h)-dione, 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one, [2,2'-Bi-1,3,4-oxadiazole]-5,5'(4H,4'H)-dione, Octadecanoic acid,12-((1-oxooctadecyl)oxy)-,octadecyl ester
| Molecular Formula | C4H2N4O4 |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.0076 |
| Heavy Atoms | 12 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 54966-52-8 |
|---|---|
| SMILES | C1(=NNC(=O)O1)C2=NNC(=O)O2 |
| InChIKey | KVEUEXHOQZCEDZ-UHFFFAOYSA-N |
Product Overview
5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one (CAS 54966-52-8), with molecular formula C4H2N4O4 and molecular weight 170.01 g/mol. IUPAC: 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one
Property Insights of 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one
The XLogP value of -0.3 indicates that 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one. Following Lipinski's Rule of Five, 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one has 2 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 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The CAS number of 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one is 54966-52-8.
What is the molecular formula of 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The molecular formula of 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one is C4H2N4O4.
What is the molecular weight of 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one?
The molecular weight of 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one is 170.01 g/mol.
Where can I buy 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one?
You can request a quote for 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.