TL;DR: 10-[bis(4-methoxyphenyl)methylene]-4-benzyl-4-azatricyclo[5.2.1.0<2,6>]dec-8-e ne-3,5-dione (CAS 1005110-59-7) is a chemical compound with molecular formula C31H27NO4 and molecular weight 477.194 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-benzyl-10-[bis(4-methoxyphenyl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 10-[bis(4-methoxyphenyl)methylene]-4-benzyl-4-azatricyclo[5.2.1.0<2,6>]dec-8-e ne-3,5-dione, 2-benzyl-8-(bis(4-methoxyphenyl)methylene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 2-benzyl-8-[bis(4-methoxyphenyl)methylidene]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 4-BENZYL-10-[BIS(4-METHOXYPHENYL)METHYLIDENE]-4-AZATRICYCLO[5.2.1.0(2),?]DEC-8-ENE-3,5-DIONE
| Molecular Formula | C31H27NO4 |
| Molecular Weight | 477.194 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.194 Da |
| Heavy Atoms | 36 |
| Complexity | 842.0 |
| SMILES | COC1=CC=C(C=C1)C(=C2C3C=CC2C4C3C(=O)N(C4=O)CC5=CC=CC=C5)C6=CC=C(C=C6)OC |
| InChIKey | JALGVJJBNPXALR-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 10-[bis(4-methoxyphenyl)methylene]-4-benzyl-4-azatricyclo[5.2.1.0<2,6>]dec-8-e ne-3,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 10-[bis(4-methoxyphenyl)methylene]-4-benzyl-4-azatricyclo[5.2.1.0<2,6>]dec-8-e ne-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-[bis(4-methoxyphenyl)methylene]-4-benzyl-4-azatricyclo[5.2.1.0<2,6>]dec-8-e ne-3,5-dione 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 10-[bis(4-methoxyphenyl)methylene]-4-benzyl-4-azatricyclo[5.2.1.0<2,6>]dec-8-e ne-3,5-dione is 1005110-59-7.
The molecular formula of 10-[bis(4-methoxyphenyl)methylene]-4-benzyl-4-azatricyclo[5.2.1.0<2,6>]dec-8-e ne-3,5-dione is C31H27NO4.
The molecular weight of 10-[bis(4-methoxyphenyl)methylene]-4-benzyl-4-azatricyclo[5.2.1.0<2,6>]dec-8-e ne-3,5-dione is 477.194 g/mol.
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