TL;DR: 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one (CAS 662164-27-4) is a chemical compound with molecular formula C30H25N5O5 and molecular weight 535.18555 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one
Also Known As: 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one, 2-{5-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-nitrophenyl}-4-(4-methylphenyl)phthalazin-1(2H)-one, 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitro-phenyl]-4-(4-methylphenyl)phthalazin-1-one
| Molecular Formula | C30H25N5O5 |
| Molecular Weight | 535.18555 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 535.18555 Da |
| Heavy Atoms | 40 |
| Complexity | 983.0 |
| SMILES | CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)C(=O)C6=CC=CO6)[N+](=O)[O-] |
| InChIKey | BBFQICZSCMADEN-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one. Following Lipinski's Rule of Five, 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one is 662164-27-4.
The molecular formula of 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one is C30H25N5O5.
The molecular weight of 2-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one is 535.18555 g/mol.
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