TL;DR: 1H-Pyrrole, 1-acetyl-4,5-dihydro-5-(2-methoxyphenyl)-3-(2-(((2-phenyl-1H-indol-3-yl)methylene)amino)phenyl)- (CAS 133381-51-8) is a chemical compound with molecular formula C33H28N4O2 and molecular weight 512.22125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(2-methoxyphenyl)-5-[2-[(2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone
Also Known As: 1H-Pyrrole, 1-acetyl-4,5-dihydro-5-(2-methoxyphenyl)-3-(2-(((2-phenyl-1H-indol-3-yl)methylene)amino)phenyl)-, 1-[3-(2-methoxyphenyl)-5-[2-[[(E)-(2-phenylindol-3-ylidene)methyl]amino]phenyl]-3,4-dihydropyrazol-2-yl]ethanone
| Molecular Formula | C33H28N4O2 |
| Molecular Weight | 512.22125 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.22125 Da |
| Heavy Atoms | 39 |
| Complexity | 898.0 |
| SMILES | CC(=O)N1C(CC(=N1)C2=CC=CC=C2N=CC3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C6=CC=CC=C6OC |
| InChIKey | BUPAWZFXAIOTPC-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that 1H-Pyrrole, 1-acetyl-4,5-dihydro-5-(2-methoxyphenyl)-3-(2-(((2-phenyl-1H-indol-3-yl)methylene)amino)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole, 1-acetyl-4,5-dihydro-5-(2-methoxyphenyl)-3-(2-(((2-phenyl-1H-indol-3-yl)methylene)amino)phenyl)-. Following Lipinski's Rule of Five, 1H-Pyrrole, 1-acetyl-4,5-dihydro-5-(2-methoxyphenyl)-3-(2-(((2-phenyl-1H-indol-3-yl)methylene)amino)phenyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1H-Pyrrole, 1-acetyl-4,5-dihydro-5-(2-methoxyphenyl)-3-(2-(((2-phenyl-1H-indol-3-yl)methylene)amino)phenyl)- is 133381-51-8.
The molecular formula of 1H-Pyrrole, 1-acetyl-4,5-dihydro-5-(2-methoxyphenyl)-3-(2-(((2-phenyl-1H-indol-3-yl)methylene)amino)phenyl)- is C33H28N4O2.
The molecular weight of 1H-Pyrrole, 1-acetyl-4,5-dihydro-5-(2-methoxyphenyl)-3-(2-(((2-phenyl-1H-indol-3-yl)methylene)amino)phenyl)- is 512.22125 g/mol.
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