(+-)-Shikonin
TL;DR: (+-)-Shikonin (CAS 54952-43-1) is a chemical compound with molecular formula C16H16O5 and molecular weight 288.09976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione
Also Known As: shikonin, Alkannin, SHIKALKIN, (Rac)-Shikonin, Anchusin
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H16O5 |
| Molecular Weight | 288.09976 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.09976 Da |
| Heavy Atoms | 21 |
| Complexity | 501.0 |
| Melting Point | 116 - 117 °C |
| SMILES | CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C |
| InChIKey | NEZONWMXZKDMKF-UHFFFAOYSA-N |
Product Description
Applications: (+-)-Shikonin 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 (+-)-Shikonin (CAS 54952-43-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
(+-)-Shikonin (CAS 54952-43-1) is a pharmaceutical intermediate with the molecular formula C16H16O5 and a molecular weight of 288.1 g/mol. It is also known as shikonin and Alkannin.
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 (+-)-Shikonin
Property Insights of (+-)-Shikonin
The XLogP value of 3.0 indicates that (+-)-Shikonin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (+-)-Shikonin. Following Lipinski's Rule of Five, (+-)-Shikonin has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (+-)-Shikonin?
The CAS number of (+-)-Shikonin is 54952-43-1.
What is the molecular formula of (+-)-Shikonin?
The molecular formula of (+-)-Shikonin is C16H16O5.
What is the molecular weight of (+-)-Shikonin?
The molecular weight of (+-)-Shikonin is 288.09976 g/mol.
What are the applications of (+-)-Shikonin?
(+-)-Shikonin 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 (+-)-Shikonin (CAS 54952-43-1) with custom...
Where can I buy (+-)-Shikonin?
You can request a quote for (+-)-Shikonin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (+-)-Shikonin?
Yes, CoreyChem provides custom synthesis services for (+-)-Shikonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.