Roxarsone
TL;DR: Roxarsone (CAS 121-19-7) is a chemical compound with molecular formula C6H6AsNO6 and molecular weight 262.9411 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-hydroxy-3-nitrophenyl)arsonic acid
Also Known As: roxarsone, Ristat, 3-Nitro, Roxarson, Roxarsonum
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6AsNO6 |
| Molecular Weight | 262.9411 g/mol |
| XLogP | -1.14 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.9411 Da |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
| Melting Point | greater than 572 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| SMILES | C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])O |
| InChIKey | XMVJITFPVVRMHC-UHFFFAOYSA-N |
Product Description
Applications: Roxarsone is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Roxarsone is a pharmaceutical intermediate identified by CAS number 121-19-7 and the molecular formula C6H6AsNO6 and a molecular weight of 262.94 g/mol. Physically, the compound has a solubility: less than 1 mg/mL at 73 °F (NTP, 1992). Synonyms include roxarsone and Ristat.
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 Roxarsone
Property Insights of Roxarsone
The XLogP value of -1.14 indicates that Roxarsone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Roxarsone. Following Lipinski's Rule of Five, Roxarsone has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Roxarsone?
The CAS number of Roxarsone is 121-19-7.
What is the molecular formula of Roxarsone?
The molecular formula of Roxarsone is C6H6AsNO6.
What is the molecular weight of Roxarsone?
The molecular weight of Roxarsone is 262.9411 g/mol.
What are the applications of Roxarsone?
Roxarsone is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton...
Where can I buy Roxarsone?
You can request a quote for Roxarsone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Roxarsone?
Yes, CoreyChem provides custom synthesis services for Roxarsone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.