TL;DR: 3H-Pyrazol-3-one,2-[2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[(3,4-dimethoxyphenyl)methylene]-2,4-dihydro-5-methyl- (CAS 119457-29-3) is a chemical compound with molecular formula C29H22BrN5O4 and molecular weight 583.0855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]-4-[(3,4-dimethoxyphenyl)methylidene]-5-methylpyrazol-3-one
Also Known As: 3H-Pyrazol-3-one,2-[2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[(3,4-dimethoxyphenyl)methylene]-2,4-dihydro-5-methyl-, 3H-Pyrazol-3-one, 2,4-dihydro-2-((9-bromo-6H-indolo(2,3-b)quinoxalin-6-yl)acetyl)-4-((3,4-dimethoxyphenyl)methylene)-5-methyl-
| Molecular Formula | C29H22BrN5O4 |
| Molecular Weight | 583.0855 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 98.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 583.0855 Da |
| Heavy Atoms | 39 |
| Complexity | 1020.0 |
| SMILES | CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)OC)C(=O)CN3C4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N=C53 |
| InChIKey | KGGFQXLGLMYQKP-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 3H-Pyrazol-3-one,2-[2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[(3,4-dimethoxyphenyl)methylene]-2,4-dihydro-5-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-Pyrazol-3-one,2-[2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[(3,4-dimethoxyphenyl)methylene]-2,4-dihydro-5-methyl-. Following Lipinski's Rule of Five, 3H-Pyrazol-3-one,2-[2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[(3,4-dimethoxyphenyl)methylene]-2,4-dihydro-5-methyl- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3H-Pyrazol-3-one,2-[2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[(3,4-dimethoxyphenyl)methylene]-2,4-dihydro-5-methyl- is 119457-29-3.
The molecular formula of 3H-Pyrazol-3-one,2-[2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[(3,4-dimethoxyphenyl)methylene]-2,4-dihydro-5-methyl- is C29H22BrN5O4.
The molecular weight of 3H-Pyrazol-3-one,2-[2-(9-bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl]-4-[(3,4-dimethoxyphenyl)methylene]-2,4-dihydro-5-methyl- is 583.0855 g/mol.
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