Anisindione
TL;DR: Anisindione (CAS 117-37-3) is a chemical compound with molecular formula C16H12O3 and molecular weight 252.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methoxyphenyl)indene-1,3-dione
Also Known As: anisindione, Miradon, Anisin indandione, Unidone, Anisindiona
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H12O3 |
| Molecular Weight | 252.07864 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07864 Da |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
| Melting Point | 155-156 |
| Solubility | 79.8 |
| SMILES | COC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | XRCFXMGQEVUZFC-UHFFFAOYSA-N |
Product Description
Applications: Anisindione 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. CoreyChem supplies Anisindione (CAS 117-37-3) 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, Anisindione (CAS 117-37-3) has the molecular formula C16H12O3 and a molecular weight of 252.08 g/mol. Reported properties include a solubility: 79.8. It is also known as anisindione and Miradon.
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 Anisindione
Property Insights of Anisindione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anisindione. With a topological polar surface area (TPSA) of 43.4 Ų, Anisindione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anisindione 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 Anisindione?
The CAS number of Anisindione is 117-37-3.
What is the molecular formula of Anisindione?
The molecular formula of Anisindione is C16H12O3.
What is the molecular weight of Anisindione?
The molecular weight of Anisindione is 252.07864 g/mol.
What are the applications of Anisindione?
Anisindione 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. CoreyChem supplies Anisindione (CAS 117-37-3) with custom synthesis available from...
Where can I buy Anisindione?
You can request a quote for Anisindione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Anisindione?
Yes, CoreyChem provides custom synthesis services for Anisindione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.