Barium styphnate
TL;DR: Barium styphnate (CAS 15805-42-2) is a chemical compound with molecular formula C6HBaN3O8 and molecular weight 380.88162 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
barium(2+);2,4,6-trinitrobenzene-1,3-diolate
Also Known As: Barium styphnate, Barium 2,4,6-trinitroresorcinolate, 1,3-Benzenediol, 2,4,6-trinitro-, barium salt (1:1), 2,4,6-Trinitro-1,3-phenylenedioxybarium, barium 2,4,6-trinitrobenzene-1,3-diolate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6HBaN3O8 |
| Molecular Weight | 380.88162 g/mol |
| XLogP | -0.82 |
| Topological Polar Surface Area (TPSA) | 184.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 380.88162 Da |
| Heavy Atoms | 18 |
| Complexity | 317.0 |
| SMILES | C1=C(C(=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[O-])[N+](=O)[O-].[Ba+2] |
| InChIKey | ZACISHMWZUXBDS-UHFFFAOYSA-L |
Product Description
Applications: Barium styphnate is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Barium styphnate (CAS 15805-42-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Barium styphnate (CAS 15805-42-2) has the molecular formula C6HBaN3O8 and a molecular weight of 380.88 g/mol. It is also known as Barium styphnate and Barium 2,4,6-trinitroresorcinolate.
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 Barium styphnate
Property Insights of Barium styphnate
The XLogP value of -0.82 indicates that Barium styphnate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.0 Ų indicates high polarity, suggesting Barium styphnate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Barium styphnate 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
What is the CAS number of Barium styphnate?
The CAS number of Barium styphnate is 15805-42-2.
What is the molecular formula of Barium styphnate?
The molecular formula of Barium styphnate is C6HBaN3O8.
What is the molecular weight of Barium styphnate?
The molecular weight of Barium styphnate is 380.88162 g/mol.
What are the applications of Barium styphnate?
Barium styphnate is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Barium styphnate (CAS 15805-42-2) with...
Where can I buy Barium styphnate?
You can request a quote for Barium styphnate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Barium styphnate?
Yes, CoreyChem provides custom synthesis services for Barium styphnate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.