1-(Anthracen-9-yl)butane-1,3-dione
TL;DR: 1-(Anthracen-9-yl)butane-1,3-dione (CAS 101736-47-4) is a chemical compound with molecular formula C18H14O2 and molecular weight 262.09937 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-anthracen-9-ylbutane-1,3-dione
Also Known As: 9-Anthroyl-aceton, 1-(anthracen-9-yl)butane-1,3-dione, 1-Anthracen-9-yl-butane-1,3-dione, 1-anthracen-9-ylbutane-1,3-dione, 1,3-Butanedione,1-(9-anthracenyl)-
Technical Specifications
| Molecular Formula | C18H14O2 |
| Molecular Weight | 262.09937 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 | 262.09937 Da |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
| SMILES | CC(=O)CC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31 |
| InChIKey | HEGRMYBTNIGYIV-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Anthracen-9-yl)butane-1,3-dione
Property Insights of 1-(Anthracen-9-yl)butane-1,3-dione
The XLogP value of 4.1 indicates that 1-(Anthracen-9-yl)butane-1,3-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, 1-(Anthracen-9-yl)butane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Anthracen-9-yl)butane-1,3-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 1-(Anthracen-9-yl)butane-1,3-dione?
The CAS number of 1-(Anthracen-9-yl)butane-1,3-dione is 101736-47-4.
What is the molecular formula of 1-(Anthracen-9-yl)butane-1,3-dione?
The molecular formula of 1-(Anthracen-9-yl)butane-1,3-dione is C18H14O2.
What is the molecular weight of 1-(Anthracen-9-yl)butane-1,3-dione?
The molecular weight of 1-(Anthracen-9-yl)butane-1,3-dione is 262.09937 g/mol.
Where can I buy 1-(Anthracen-9-yl)butane-1,3-dione?
You can request a quote for 1-(Anthracen-9-yl)butane-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Anthracen-9-yl)butane-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 1-(Anthracen-9-yl)butane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.