TL;DR: 12-Methylidene-12H-benzo[pqr]tetraphen-12c-ido (CAS 123358-52-1) is a chemical compound with molecular formula C21H13- and molecular weight 265.1017 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-methanidylbenzo[a]pyrene
Also Known As: 12-methanidylbenzo[a]pyrene, 12-Methylidene-12H-benzo[pqr]tetraphen-12c-ido, 12-Methylidene-12H-benzo[pqr]tetraphen-12c-ide
| Molecular Formula | C21H13- |
| Molecular Weight | 265.1017 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 265.1017 Da |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
| SMILES | [CH2-]C1=CC2=C3C(=CC4=CC=CC=C42)C=CC5=C3C1=CC=C5 |
| InChIKey | LYDLPDRBFAWADM-UHFFFAOYSA-N |
The XLogP value of 6.6 indicates that 12-Methylidene-12H-benzo[pqr]tetraphen-12c-ido is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 12-Methylidene-12H-benzo[pqr]tetraphen-12c-ido exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Methylidene-12H-benzo[pqr]tetraphen-12c-ido has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 12-Methylidene-12H-benzo[pqr]tetraphen-12c-ido is 123358-52-1.
The molecular formula of 12-Methylidene-12H-benzo[pqr]tetraphen-12c-ido is C21H13-.
The molecular weight of 12-Methylidene-12H-benzo[pqr]tetraphen-12c-ido is 265.1017 g/mol.
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