Plumbagin
TL;DR: Plumbagin (CAS 481-42-5) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-hydroxy-2-methylnaphthalene-1,4-dione
Also Known As: Plumbagin, Plumbagine, 2-Methyljuglone, Plumbagone, Plumbaein
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H8O3 |
| Molecular Weight | 188.04735 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.04735 Da |
| Heavy Atoms | 14 |
| Complexity | 316.0 |
| SMILES | CC1=CC(=O)C2=C(C1=O)C=CC=C2O |
| InChIKey | VCMMXZQDRFWYSE-UHFFFAOYSA-N |
Product Description
Applications: Plumbagin is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials 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).
A pharmaceutical intermediate supplied by CoreyChem, Plumbagin (CAS 481-42-5) has the molecular formula C11H8O3 and a molecular weight of 188.05 g/mol. Synonyms include Plumbagin and Plumbagine.
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 Plumbagin
Property Insights of Plumbagin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Plumbagin. With a topological polar surface area (TPSA) of 54.4 Ų, Plumbagin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Plumbagin has 1 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 Plumbagin?
The CAS number of Plumbagin is 481-42-5.
What is the molecular formula of Plumbagin?
The molecular formula of Plumbagin is C11H8O3.
What is the molecular weight of Plumbagin?
The molecular weight of Plumbagin is 188.04735 g/mol.
What are the applications of Plumbagin?
Plumbagin is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials 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...
Where can I buy Plumbagin?
You can request a quote for Plumbagin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Plumbagin?
Yes, CoreyChem provides custom synthesis services for Plumbagin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.