![4,5,6-Trihydrobenz[de]anthracene structure](/static/products/112/112772-15-3.webp)
4,5,6-Trihydrobenz[de]anthracene
TL;DR: 4,5,6-Trihydrobenz[de]anthracene (CAS 112772-15-3) is a chemical compound with molecular formula C17H14 and molecular weight 218.10954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dihydro-1H-benzo[a]phenalene
Also Known As: Naphthochrysene, Benzophenalene, dihydro-, 4,5,6-trihydrobenz[de]anthracene, 2,3-dihydro-1H-benzo[a]phenalene, 2,3-Dihydro-1H-benzo[de]anthracene
Technical Specifications
| Molecular Formula | C17H14 |
| Molecular Weight | 218.10954 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.10954 Da |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
| SMILES | C1CC2=CC=CC3=CC4=CC=CC=C4C(=C23)C1 |
| InChIKey | QUOCOXKLVRYLTP-UHFFFAOYSA-N |
Chemical Property Profile of 4,5,6-Trihydrobenz[de]anthracene
Property Insights of 4,5,6-Trihydrobenz[de]anthracene
The XLogP value of 5.3 indicates that 4,5,6-Trihydrobenz[de]anthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4,5,6-Trihydrobenz[de]anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,6-Trihydrobenz[de]anthracene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4,5,6-Trihydrobenz[de]anthracene?
The CAS number of 4,5,6-Trihydrobenz[de]anthracene is 112772-15-3.
What is the molecular formula of 4,5,6-Trihydrobenz[de]anthracene?
The molecular formula of 4,5,6-Trihydrobenz[de]anthracene is C17H14.
What is the molecular weight of 4,5,6-Trihydrobenz[de]anthracene?
The molecular weight of 4,5,6-Trihydrobenz[de]anthracene is 218.10954 g/mol.
Where can I buy 4,5,6-Trihydrobenz[de]anthracene?
You can request a quote for 4,5,6-Trihydrobenz[de]anthracene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5,6-Trihydrobenz[de]anthracene?
Yes, CoreyChem provides custom synthesis services for 4,5,6-Trihydrobenz[de]anthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.