Phenylbutazone
TL;DR: Phenylbutazone (CAS 50-33-9) is a chemical compound with molecular formula C19H20N2O2 and molecular weight 308.15247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-butyl-1,2-diphenylpyrazolidine-3,5-dione
Also Known As: phenylbutazone, Butapirazol, Butazolidin, Butadion, Flexazone
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H20N2O2 |
| Molecular Weight | 308.15247 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.15247 Da |
| Heavy Atoms | 23 |
| Complexity | 389.0 |
| Melting Point | 219 to 225 °F (NTP, 1992) |
| Refractive Index | INDICES OF REFRACTION: 1.600 (ALPHA), 1.620 (GAMMA) |
| Solubility | less than 1 mg/mL at 74.3 °F (NTP, 1992) |
| SMILES | CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | VYMDGNCVAMGZFE-UHFFFAOYSA-N |
Product Description
Applications: Phenylbutazone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
Phenylbutazone is a pharmaceutical intermediate identified by CAS number 50-33-9 and the molecular formula C19H20N2O2 and a molecular weight of 308.15 g/mol. Physically, the compound has a solubility: less than 1 mg/mL at 74.3 °F (NTP, 1992). Synonyms include phenylbutazone and Butapirazol.
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 Phenylbutazone
Property Insights of Phenylbutazone
The XLogP value of 3.2 indicates that Phenylbutazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, Phenylbutazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylbutazone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenylbutazone?
The CAS number of Phenylbutazone is 50-33-9.
What is the molecular formula of Phenylbutazone?
The molecular formula of Phenylbutazone is C19H20N2O2.
What is the molecular weight of Phenylbutazone?
The molecular weight of Phenylbutazone is 308.15247 g/mol.
What are the applications of Phenylbutazone?
Phenylbutazone is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Phenylbutazone?
You can request a quote for Phenylbutazone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenylbutazone?
Yes, CoreyChem provides custom synthesis services for Phenylbutazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.