TL;DR: 2-(iodomethyl)-2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione (CAS 13232-63-8) is a chemical compound with molecular formula C17H13IO3 and molecular weight 391.99094 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(iodomethyl)-2-(4-methoxyphenyl)indene-1,3-dione
Also Known As: 2-(iodomethyl)-2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione, 2-(iodomethyl)-2-(4-methoxyphenyl)indene-1,3-dione, AM-781/11717001
| Molecular Formula | C17H13IO3 |
| Molecular Weight | 391.99094 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.99094 Da |
| Heavy Atoms | 21 |
| Complexity | 402.0 |
| SMILES | COC1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)CI |
| InChIKey | RWQDAHFSRQVKLY-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 2-(iodomethyl)-2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2-(iodomethyl)-2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(iodomethyl)-2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(iodomethyl)-2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione is 13232-63-8.
The molecular formula of 2-(iodomethyl)-2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione is C17H13IO3.
The molecular weight of 2-(iodomethyl)-2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione is 391.99094 g/mol.
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