![3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium structure](/static/products/4338/4338-00-5.webp)
3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium
TL;DR: 3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium (CAS 4338-00-5) is a chemical compound with molecular formula C11H11N2O4+ and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(1,3-benzodioxol-5-yl)ethyl]-2H-oxadiazol-3-ium-5-one
Also Known As: NCIOpen2_004638, 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2H-oxadiazol-3-ium-5-one, 3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium
| Molecular Formula | C11H11N2O4+ |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.07188 |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 4338-00-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CC[N+]3=CC(=O)ON3 |
| InChIKey | XFHVEGFWKHOFSF-UHFFFAOYSA-O |
Product Overview
3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium (CAS 4338-00-5), with molecular formula C11H11N2O4+ and molecular weight 235.07 g/mol. IUPAC: 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2H-oxadiazol-3-ium-5-one.
Chemical Property Profile of 3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium
Property Insights of 3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium. With a topological polar surface area (TPSA) of 59.8 Ų, 3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium has 1 hydrogen bond donor(s) and 5 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 3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium?
The CAS number of 3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium is 4338-00-5.
What is the molecular formula of 3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium?
The molecular formula of 3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium is C11H11N2O4+.
What is the molecular weight of 3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium?
The molecular weight of 3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium is 235.07 g/mol.
Where can I buy 3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium?
You can request a quote for 3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-5-oxo-2,5-dihydro-1,2,3-oxadiazol-3-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.