TL;DR: Isoviolanthrone (CAS 128-64-3) is a chemical compound with molecular formula C34H16O2 and molecular weight 456.11502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.021,26.028,32]tetratriaconta-1(30),2,4,6,8,10,13,15,17(31),18,20(32),21,23,25,28,33-hexadecaene-12,27-dione
Also Known As: Isoviolanthrone, Isodibenzanthrone, Isothrene, Izodibenzantron, Isoviolanthrone A
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C34H16O2 |
| Molecular Weight | 456.11502 g/mol |
| XLogP | 8.0 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 456.11502 Da |
| Heavy Atoms | 36 |
| Complexity | 877.0 |
| SMILES | C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C6=CC=C7C8=C(C=CC5=C68)C9=CC=CC=C9C7=O)C2=O |
| InChIKey | BSIHWSXXPBAGTC-UHFFFAOYSA-N |
The XLogP value of 8.0 indicates that Isoviolanthrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Isoviolanthrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoviolanthrone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Isoviolanthrone is 128-64-3.
The molecular formula of Isoviolanthrone is C34H16O2.
The molecular weight of Isoviolanthrone is 456.11502 g/mol.
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