TL;DR: 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone (CAS 1022574-13-5) is a chemical compound with molecular formula C35H28N2O4 and molecular weight 540.2049 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
15-methyl-6-[(4-methylphenyl)methyl]-4,9-diphenyl-4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),13,15-triene-3,5,8,10-tetrone
Also Known As: 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone, 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-6a,10b-dihydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,3aH,3bH,5H)-tetraone
| Molecular Formula | C35H28N2O4 |
| Molecular Weight | 540.2049 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 540.2049 Da |
| Heavy Atoms | 41 |
| Complexity | 1070.0 |
| SMILES | CC1=CC=C(C=C1)CC23C4C(C5=C(C2C(=O)N(C3=O)C6=CC=CC=C6)C=C(C=C5)C)C(=O)N(C4=O)C7=CC=CC=C7 |
| InChIKey | RDUJXVQDUNXXIU-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone. Following Lipinski's Rule of Five, 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone is 1022574-13-5.
The molecular formula of 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone is C35H28N2O4.
The molecular weight of 9-methyl-3a-(4-methylbenzyl)-2,5-diphenyl-3a,3b,6a,10b-tetrahydrobenzo[e]pyrrolo[3,4-g]isoindole-1,3,4,6(2H,5H)-tetrone is 540.2049 g/mol.
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