Diphacinone
TL;DR: Diphacinone (CAS 82-66-6) is a chemical compound with molecular formula C23H16O3 and molecular weight 340.10995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,2-diphenylacetyl)indene-1,3-dione
Also Known As: Diphacinone, DIPHENADIONE, Diphenacin, Didandin, Diphenandione
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H16O3 |
| Molecular Weight | 340.10995 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.10995 Da |
| Heavy Atoms | 26 |
| Complexity | 512.0 |
| Melting Point | 295 to 297 °F (EPA, 1998) |
| Density | Bulk density: 1.87 g/mL |
| Vapor Pressure | VP: 1.2X10-8 mm Hg |
| Refractive Index | Index of refraction: 1.670 C/D |
| Solubility | In water, 0.3 mg/L, temp not specified |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3C(=O)C4=CC=CC=C4C3=O |
| InChIKey | JYGLAHSAISAEAL-UHFFFAOYSA-N |
Product Description
Applications: Diphacinone is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. 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).
Diphacinone (CAS 82-66-6) is a pharmaceutical intermediate with the molecular formula C23H16O3 and a molecular weight of 340.11 g/mol. Key physical properties include a density of Bulk density: 1.87 g/mL g/cm³, a solubility: In water, 0.3 mg/L, temp not specified. Synonyms include Diphacinone and DIPHENADIONE.
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 Diphacinone
Property Insights of Diphacinone
The XLogP value of 3.7 indicates that Diphacinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, Diphacinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphacinone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diphacinone?
The CAS number of Diphacinone is 82-66-6.
What is the molecular formula of Diphacinone?
The molecular formula of Diphacinone is C23H16O3.
What is the molecular weight of Diphacinone?
The molecular weight of Diphacinone is 340.10995 g/mol.
What are the applications of Diphacinone?
Diphacinone is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy Diphacinone?
You can request a quote for Diphacinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diphacinone?
Yes, CoreyChem provides custom synthesis services for Diphacinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.