Pyrithyldione
TL;DR: Pyrithyldione (CAS 77-04-3) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-diethyl-1H-pyridine-2,4-dione
Also Known As: pyrithyldione, Persedon, Didropyridine, Pyrithyldion, Benedorm
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.09464 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.09464 Da |
| Heavy Atoms | 12 |
| Complexity | 239.0 |
| SMILES | CCC1(C(=O)C=CNC1=O)CC |
| InChIKey | NZASCBIBXNPDMH-UHFFFAOYSA-N |
Product Description
Applications: Pyrithyldione 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).
Pyrithyldione (CAS 77-04-3) is a pharmaceutical intermediate with the molecular formula C9H13NO2 and a molecular weight of 167.09 g/mol. Synonyms include pyrithyldione and Persedon.
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 Pyrithyldione
Property Insights of Pyrithyldione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrithyldione. With a topological polar surface area (TPSA) of 46.2 Ų, Pyrithyldione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrithyldione has 1 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 Pyrithyldione?
The CAS number of Pyrithyldione is 77-04-3.
What is the molecular formula of Pyrithyldione?
The molecular formula of Pyrithyldione is C9H13NO2.
What is the molecular weight of Pyrithyldione?
The molecular weight of Pyrithyldione is 167.09464 g/mol.
What are the applications of Pyrithyldione?
Pyrithyldione 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 Pyrithyldione?
You can request a quote for Pyrithyldione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrithyldione?
Yes, CoreyChem provides custom synthesis services for Pyrithyldione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.