TL;DR: Dibenz(a,j)anthracene-3,4-dione, 7,14-dimethyl- (CAS 13051-13-3) is a chemical compound with molecular formula C24H16O2 and molecular weight 336.11502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,13-dimethylpentacyclo[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: 7,14-dimethylbenzo[m]tetraphene-3,4-dione, Dibenz(a,j)anthracene-3,4-dione, 7,14-dimethyl-, 7,14-dimethyldibenzanthracene-3,4-dione
| Molecular Formula | C24H16O2 |
| Molecular Weight | 336.11502 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 336.11502 Da |
| Heavy Atoms | 26 |
| Complexity | 634.0 |
| SMILES | CC1=C2C=CC3=CC=CC=C3C2=C(C4=C1C=CC5=C4C=CC(=O)C5=O)C |
| InChIKey | JSZXYCIZBMYBCM-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that Dibenz(a,j)anthracene-3,4-dione, 7,14-dimethyl- 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, 7,14-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenz(a,j)anthracene-3,4-dione, 7,14-dimethyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dibenz(a,j)anthracene-3,4-dione, 7,14-dimethyl- is 13051-13-3.
The molecular formula of Dibenz(a,j)anthracene-3,4-dione, 7,14-dimethyl- is C24H16O2.
The molecular weight of Dibenz(a,j)anthracene-3,4-dione, 7,14-dimethyl- is 336.11502 g/mol.
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