Benzenetrifuroxan
TL;DR: Benzenetrifuroxan (CAS 3470-17-5) is a chemical compound with molecular formula C6N6O6 and molecular weight 251.98793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,8,13-trioxido-4,9,14-trioxa-5,10,15-triaza-3,8,13-triazoniatetracyclo[10.3.0.02,6.07,11]pentadeca-1(15),2,5,7,10,12-hexaene
Also Known As: Benzotrifuroxan, Benzenetrifuroxan, Benzotrifuroxane, Benzotris(c)furazan-2-oxide, Benzotris(c)furazan2oxide
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6N6O6 |
| Molecular Weight | 251.98793 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.98793 Da |
| Heavy Atoms | 18 |
| Complexity | 303.0 |
| SMILES | C12=NO[N+](=C1C3=NO[N+](=C3C4=NO[N+](=C24)[O-])[O-])[O-] |
| InChIKey | ROSQKRBIBODSRH-UHFFFAOYSA-N |
Product Description
Applications: Benzenetrifuroxan is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as peptide synthesis and amino acid derivative chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzenetrifuroxan (CAS 3470-17-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Benzenetrifuroxan (CAS 3470-17-5) has the molecular formula C6N6O6 and a molecular weight of 251.99 g/mol. It is also known as Benzotrifuroxan and Benzenetrifuroxan.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzenetrifuroxan
Property Insights of Benzenetrifuroxan
The XLogP value of -0.7 indicates that Benzenetrifuroxan is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting Benzenetrifuroxan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenetrifuroxan has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzenetrifuroxan?
The CAS number of Benzenetrifuroxan is 3470-17-5.
What is the molecular formula of Benzenetrifuroxan?
The molecular formula of Benzenetrifuroxan is C6N6O6.
What is the molecular weight of Benzenetrifuroxan?
The molecular weight of Benzenetrifuroxan is 251.98793 g/mol.
What are the applications of Benzenetrifuroxan?
Benzenetrifuroxan is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as peptide synthesis and amino acid derivative chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzenetrifuroxan (CAS 3470-17-5)...
Where can I buy Benzenetrifuroxan?
You can request a quote for Benzenetrifuroxan directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenetrifuroxan?
Yes, CoreyChem provides custom synthesis services for Benzenetrifuroxan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.