TL;DR: 2-[[4-(Dimethylamino)phenyl]methylene]-5,6-dimethoxy-indan-1-one (CAS 1025637-00-6) is a chemical compound with molecular formula C20H21NO3 and molecular weight 323.15213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-(dimethylamino)phenyl]methylidene]-5,6-dimethoxy-3H-inden-1-one
Also Known As: 2-((4-DIMETHYLAMINOPHENYL)METHYLENE)-5,6-DIMETHOXYINDAN-1-ONE, 2-[(4-dimethylaminophenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one, 2-[[4-(dimethylamino)phenyl]methylene]-5,6-dimethoxy-indan-1-one, (2Z)-2-{[4-(dimethylamino)phenyl]methylidene}-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one, 2-{(Z)-[4-(dimethylamino)phenyl]methylidene}-5,6-dimethoxy-1H-inden-1(3H)-one
| Molecular Formula | C20H21NO3 |
| Molecular Weight | 323.15213 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.15213 Da |
| Heavy Atoms | 24 |
| Complexity | 479.0 |
| SMILES | CN(C)C1=CC=C(C=C1)C=C2CC3=CC(=C(C=C3C2=O)OC)OC |
| InChIKey | HDVCLPMRJWHUAA-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 2-[[4-(Dimethylamino)phenyl]methylene]-5,6-dimethoxy-indan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 2-[[4-(Dimethylamino)phenyl]methylene]-5,6-dimethoxy-indan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[4-(Dimethylamino)phenyl]methylene]-5,6-dimethoxy-indan-1-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[[4-(Dimethylamino)phenyl]methylene]-5,6-dimethoxy-indan-1-one is 1025637-00-6.
The molecular formula of 2-[[4-(Dimethylamino)phenyl]methylene]-5,6-dimethoxy-indan-1-one is C20H21NO3.
The molecular weight of 2-[[4-(Dimethylamino)phenyl]methylene]-5,6-dimethoxy-indan-1-one is 323.15213 g/mol.
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