Isoplumbagin
TL;DR: Isoplumbagin (CAS 14777-17-4) 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.
8-hydroxy-2-methylnaphthalene-1,4-dione
Also Known As: Isoplumbagin, Naphthsaritone, 8-hydroxy-2-methylnaphthalene-1,4-dione, 1,4-Naphthalenedione, 8-hydroxy-2-methyl-, 2-Methyl-8-hydroxy-1,4-naphthoquinone
Application Areas
Top 5 of 1 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=C2)O |
| InChIKey | ZMOIGGHUSNHCAB-UHFFFAOYSA-N |
Chemical Property Profile of Isoplumbagin
Property Insights of Isoplumbagin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoplumbagin. With a topological polar surface area (TPSA) of 54.4 Ų, Isoplumbagin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoplumbagin 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 Isoplumbagin?
The CAS number of Isoplumbagin is 14777-17-4.
What is the molecular formula of Isoplumbagin?
The molecular formula of Isoplumbagin is C11H8O3.
What is the molecular weight of Isoplumbagin?
The molecular weight of Isoplumbagin is 188.04735 g/mol.
Where can I buy Isoplumbagin?
You can request a quote for Isoplumbagin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoplumbagin?
Yes, CoreyChem provides custom synthesis services for Isoplumbagin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.