1,4,5-Trichloro-9,10-anthracenedione
TL;DR: 1,4,5-Trichloro-9,10-anthracenedione (CAS 1594-64-5) is a chemical compound with molecular formula C14H5Cl3O2 and molecular weight 309.93552 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4,5-trichloroanthracene-9,10-dione
Also Known As: 1,4,5-trichloroanthraquinone, 1,4,5-trichloroanthracene-9,10-dione, 1,4,5-Trichloro-9,10-antracenedione, 1,4,5-Trichloro-9,10-anthracenedione, 1,4,5-TRICHLORO-9,10-DIHYDROANTHRACENE-9,10-DIONE
Technical Specifications
| Molecular Formula | C14H5Cl3O2 |
| Molecular Weight | 309.93552 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 309.93552 Da |
| Heavy Atoms | 19 |
| Complexity | 411.0 |
| SMILES | C1=CC2=C(C(=C1)Cl)C(=O)C3=C(C=CC(=C3C2=O)Cl)Cl |
| InChIKey | ISPZGSLKFNLVQT-UHFFFAOYSA-N |
Chemical Property Profile of 1,4,5-Trichloro-9,10-anthracenedione
Property Insights of 1,4,5-Trichloro-9,10-anthracenedione
The XLogP value of 4.8 indicates that 1,4,5-Trichloro-9,10-anthracenedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,4,5-Trichloro-9,10-anthracenedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,5-Trichloro-9,10-anthracenedione 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 1,4,5-Trichloro-9,10-anthracenedione?
The CAS number of 1,4,5-Trichloro-9,10-anthracenedione is 1594-64-5.
What is the molecular formula of 1,4,5-Trichloro-9,10-anthracenedione?
The molecular formula of 1,4,5-Trichloro-9,10-anthracenedione is C14H5Cl3O2.
What is the molecular weight of 1,4,5-Trichloro-9,10-anthracenedione?
The molecular weight of 1,4,5-Trichloro-9,10-anthracenedione is 309.93552 g/mol.
Where can I buy 1,4,5-Trichloro-9,10-anthracenedione?
You can request a quote for 1,4,5-Trichloro-9,10-anthracenedione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4,5-Trichloro-9,10-anthracenedione?
Yes, CoreyChem provides custom synthesis services for 1,4,5-Trichloro-9,10-anthracenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.