6-Fluoro-2-methylnaphthalene-1,4-dione
TL;DR: 6-Fluoro-2-methylnaphthalene-1,4-dione (CAS 500779-12-4) is a chemical compound with molecular formula C11H7FO2 and molecular weight 190.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluoro-2-methylnaphthalene-1,4-dione
Also Known As: 6-fluoro-2-methylnaphthalene-1,4-dione, 2-Methyl-6-fluoro-1,4-naphthoquinone, 6-Fluoro-2-methyl-1,4-naphthalenedione, J3.456.607K, 6-fluoro-2-methyl-1,4-dihydronaphthalene-1,4-dione
| Molecular Formula | C11H7FO2 |
|---|---|
| Molecular Weight | 190.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.04301 |
| Heavy Atoms | 14 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 500779-12-4 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(C1=O)C=CC(=C2)F |
| InChIKey | XUDHJTQEPWQWQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Fluoro-2-methylnaphthalene-1,4-dione (CAS 500779-12-4), with molecular formula C11H7FO2 and molecular weight 190.04 g/mol. IUPAC: 6-fluoro-2-methylnaphthalene-1,4-dione.
Chemical Property Profile of 6-Fluoro-2-methylnaphthalene-1,4-dione
Property Insights of 6-Fluoro-2-methylnaphthalene-1,4-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Fluoro-2-methylnaphthalene-1,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 6-Fluoro-2-methylnaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Fluoro-2-methylnaphthalene-1,4-dione 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
Frequently Asked Questions
What is the CAS number of 6-Fluoro-2-methylnaphthalene-1,4-dione?
The CAS number of 6-Fluoro-2-methylnaphthalene-1,4-dione is 500779-12-4.
What is the molecular formula of 6-Fluoro-2-methylnaphthalene-1,4-dione?
The molecular formula of 6-Fluoro-2-methylnaphthalene-1,4-dione is C11H7FO2.
What is the molecular weight of 6-Fluoro-2-methylnaphthalene-1,4-dione?
The molecular weight of 6-Fluoro-2-methylnaphthalene-1,4-dione is 190.04 g/mol.
Where can I buy 6-Fluoro-2-methylnaphthalene-1,4-dione?
You can request a quote for 6-Fluoro-2-methylnaphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Fluoro-2-methylnaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Fluoro-2-methylnaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.