3-Bromo-5-hydroxy-2-methylnaphthalene-1,4-dione
TL;DR: 3-Bromo-5-hydroxy-2-methylnaphthalene-1,4-dione (CAS 113683-19-5) is a chemical compound with molecular formula C11H7BrO3 and molecular weight 265.95786 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-5-hydroxy-2-methylnaphthalene-1,4-dione
Also Known As: Plumbagin,3-bromo:, Plumbagin, 3-bromo:, 3-bromo-5-hydroxy-2-methylnaphthalene-1,4-dione, 1,4-Naphthalenedione, 3-bromo-5-hydroxy-2-methyl-, 3-Brom-5-hydroxy-2-methyl-1,4-naphthochinon
Technical Specifications
| Molecular Formula | C11H7BrO3 |
| Molecular Weight | 265.95786 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 265.95786 Da |
| Heavy Atoms | 15 |
| Complexity | 359.0 |
| SMILES | CC1=C(C(=O)C2=C(C1=O)C=CC=C2O)Br |
| InChIKey | NIQBOMVXAMPKNW-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromo-5-hydroxy-2-methylnaphthalene-1,4-dione
Property Insights of 3-Bromo-5-hydroxy-2-methylnaphthalene-1,4-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-5-hydroxy-2-methylnaphthalene-1,4-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Bromo-5-hydroxy-2-methylnaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-hydroxy-2-methylnaphthalene-1,4-dione 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 3-Bromo-5-hydroxy-2-methylnaphthalene-1,4-dione?
The CAS number of 3-Bromo-5-hydroxy-2-methylnaphthalene-1,4-dione is 113683-19-5.
What is the molecular formula of 3-Bromo-5-hydroxy-2-methylnaphthalene-1,4-dione?
The molecular formula of 3-Bromo-5-hydroxy-2-methylnaphthalene-1,4-dione is C11H7BrO3.
What is the molecular weight of 3-Bromo-5-hydroxy-2-methylnaphthalene-1,4-dione?
The molecular weight of 3-Bromo-5-hydroxy-2-methylnaphthalene-1,4-dione is 265.95786 g/mol.
Where can I buy 3-Bromo-5-hydroxy-2-methylnaphthalene-1,4-dione?
You can request a quote for 3-Bromo-5-hydroxy-2-methylnaphthalene-1,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromo-5-hydroxy-2-methylnaphthalene-1,4-dione?
Yes, CoreyChem provides custom synthesis services for 3-Bromo-5-hydroxy-2-methylnaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.