Dibenz(a,j)anthracene-3,4-dione
TL;DR: Dibenz(a,j)anthracene-3,4-dione (CAS 13051-08-6) is a chemical compound with molecular formula C22H12O2 and molecular weight 308.08374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,10,13,15,17,19,21-decaene-7,8-dione
Also Known As: benzo[m]tetraphene-3,4-dione, Dibenz(a,j)anthracene-3,4-dione, 2-[(3-fluorophenyloxy)methyl]benzoic acid
Technical Specifications
| Molecular Formula | C22H12O2 |
| Molecular Weight | 308.08374 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 308.08374 Da |
| Heavy Atoms | 24 |
| Complexity | 577.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)C5=C(C=C4)C(=O)C(=O)C=C5 |
| InChIKey | NAAFVUYEKRQGOT-UHFFFAOYSA-N |
Chemical Property Profile of Dibenz(a,j)anthracene-3,4-dione
Property Insights of Dibenz(a,j)anthracene-3,4-dione
The XLogP value of 5.2 indicates that Dibenz(a,j)anthracene-3,4-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, Dibenz(a,j)anthracene-3,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenz(a,j)anthracene-3,4-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dibenz(a,j)anthracene-3,4-dione?
The CAS number of Dibenz(a,j)anthracene-3,4-dione is 13051-08-6.
What is the molecular formula of Dibenz(a,j)anthracene-3,4-dione?
The molecular formula of Dibenz(a,j)anthracene-3,4-dione is C22H12O2.
What is the molecular weight of Dibenz(a,j)anthracene-3,4-dione?
The molecular weight of Dibenz(a,j)anthracene-3,4-dione is 308.08374 g/mol.
Where can I buy Dibenz(a,j)anthracene-3,4-dione?
You can request a quote for Dibenz(a,j)anthracene-3,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dibenz(a,j)anthracene-3,4-dione?
Yes, CoreyChem provides custom synthesis services for Dibenz(a,j)anthracene-3,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.