3-Butyl-2,6-dimethylnaphthalene-1,4-dione
TL;DR: 3-Butyl-2,6-dimethylnaphthalene-1,4-dione (CAS 141462-49-9) is a chemical compound with molecular formula C16H18O2 and molecular weight 242.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-butyl-2,6-dimethylnaphthalene-1,4-dione
Also Known As: 2-Butyl-3,7-dimethyl-1,4-naphthoquinone, 3-butyl-2,6-dimethylnaphthalene-1,4-dione, 3-butyl-2,6-dimethyl-naphthalene-1,4-dione, 3-butyl-2,6-dimethyl-1,4-dihydronaphthalene-1,4-dione
Technical Specifications
| Molecular Formula | C16H18O2 |
| Molecular Weight | 242.13068 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.13068 Da |
| Heavy Atoms | 18 |
| Complexity | 392.0 |
| SMILES | CCCCC1=C(C(=O)C2=C(C1=O)C=C(C=C2)C)C |
| InChIKey | XULKFVHKOGYXPD-UHFFFAOYSA-N |
Chemical Property Profile of 3-Butyl-2,6-dimethylnaphthalene-1,4-dione
Property Insights of 3-Butyl-2,6-dimethylnaphthalene-1,4-dione
The XLogP value of 4.1 indicates that 3-Butyl-2,6-dimethylnaphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 3-Butyl-2,6-dimethylnaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-2,6-dimethylnaphthalene-1,4-dione has 0 hydrogen bond donor(s) and 2 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-Butyl-2,6-dimethylnaphthalene-1,4-dione?
The CAS number of 3-Butyl-2,6-dimethylnaphthalene-1,4-dione is 141462-49-9.
What is the molecular formula of 3-Butyl-2,6-dimethylnaphthalene-1,4-dione?
The molecular formula of 3-Butyl-2,6-dimethylnaphthalene-1,4-dione is C16H18O2.
What is the molecular weight of 3-Butyl-2,6-dimethylnaphthalene-1,4-dione?
The molecular weight of 3-Butyl-2,6-dimethylnaphthalene-1,4-dione is 242.13068 g/mol.
Where can I buy 3-Butyl-2,6-dimethylnaphthalene-1,4-dione?
You can request a quote for 3-Butyl-2,6-dimethylnaphthalene-1,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Butyl-2,6-dimethylnaphthalene-1,4-dione?
Yes, CoreyChem provides custom synthesis services for 3-Butyl-2,6-dimethylnaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.