TL;DR: 8,9,10,11-tetrabromo-12H-phthaloperin-12-one (CAS 26011-65-4) is a chemical compound with molecular formula C18H6Br4N2O and molecular weight 581.7214 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6,7,8-tetrabromo-2,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),4(9),5,7,10,12,14,16(20),17-nonaen-3-one
Also Known As: 8,9,10,11-Tetrabromo-12H-phthaloperin-12-one, 12H-Phthaloperin-12-one, 8,9,10,11-tetrabromo-, 12H-Phthaloperin-12-one,8,9,10,11-tetrabromo-, 8,9,10,11-tetrabromo-12H-isoindolo[2,1-a]perimidin-12-one, 8,9,10,11-TETRABROMO-ISOINDOLO(2,1-A)PERIMIDIN-12-ONE
| Molecular Formula | C18H6Br4N2O |
| Molecular Weight | 581.7214 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 585.7173 Da |
| Heavy Atoms | 25 |
| Complexity | 628.0 |
| SMILES | C1=CC2=C3C(=C1)N=C4C5=C(C(=C(C(=C5Br)Br)Br)Br)C(=O)N4C3=CC=C2 |
| InChIKey | OHTFRFYHAZBZIK-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that 8,9,10,11-tetrabromo-12H-phthaloperin-12-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 8,9,10,11-tetrabromo-12H-phthaloperin-12-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8,9,10,11-tetrabromo-12H-phthaloperin-12-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 8,9,10,11-tetrabromo-12H-phthaloperin-12-one is 26011-65-4.
The molecular formula of 8,9,10,11-tetrabromo-12H-phthaloperin-12-one is C18H6Br4N2O.
The molecular weight of 8,9,10,11-tetrabromo-12H-phthaloperin-12-one is 581.7214 g/mol.
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