TL;DR: 10-Benzhydrylidene-4-(4-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CAS 1005125-31-4) is a chemical compound with molecular formula C29H23NO2 and molecular weight 417.17288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-benzhydrylidene-4-(4-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 10-Benzhydrylidene-4-(4-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione, 8-(diphenylmethylene)-2-(p-tolyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 8-(diphenylmethylidene)-2-(4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C29H23NO2 |
| Molecular Weight | 417.17288 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.17288 Da |
| Heavy Atoms | 32 |
| Complexity | 766.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C4=C(C5=CC=CC=C5)C6=CC=CC=C6 |
| InChIKey | BZEVHHQWYHZHNK-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 10-Benzhydrylidene-4-(4-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 10-Benzhydrylidene-4-(4-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-Benzhydrylidene-4-(4-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 10-Benzhydrylidene-4-(4-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is 1005125-31-4.
The molecular formula of 10-Benzhydrylidene-4-(4-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is C29H23NO2.
The molecular weight of 10-Benzhydrylidene-4-(4-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is 417.17288 g/mol.
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