TL;DR: 4,5,7,8,9,10,11,12-Octahydrobenzo[A]pyrene (CAS 73712-70-6) is a chemical compound with molecular formula C20H20 and molecular weight 260.1565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5,7,8,9,10,11,12-octahydrobenzo[a]pyrene
Also Known As: 4,5,7,8,9,10,11,12-Octahydrobenzo[A]pyrene, 4,5,7,8,9,10,11,12-OCTAHYDROBENZO[A]PYERENE, 4,5,7,8,9,10,11,12-octahydrobenz[a]pyrene, 4,5,7,8,9,10,11,12-Octahydrobenzo[def]chrysene #, pentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),8,12,14,16(20)-hexaene
| Molecular Formula | C20H20 |
| Molecular Weight | 260.1565 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.1565 Da |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
| SMILES | C1CCC2=C3CCC4=CC=CC5=C4C3=C(CC5)C=C2C1 |
| InChIKey | BVSDHJAYNSXNTN-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 4,5,7,8,9,10,11,12-Octahydrobenzo[A]pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4,5,7,8,9,10,11,12-Octahydrobenzo[A]pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,7,8,9,10,11,12-Octahydrobenzo[A]pyrene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4,5,7,8,9,10,11,12-Octahydrobenzo[A]pyrene is 73712-70-6.
The molecular formula of 4,5,7,8,9,10,11,12-Octahydrobenzo[A]pyrene is C20H20.
The molecular weight of 4,5,7,8,9,10,11,12-Octahydrobenzo[A]pyrene is 260.1565 g/mol.
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