TL;DR: 10-benzyl-2-methyl-4,5-dihydro-3H-azepino[3,4-b]indol-1-one (CAS 122510-78-5) is a chemical compound with molecular formula C20H20N2O and molecular weight 304.15756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-benzyl-2-methyl-4,5-dihydro-3H-azepino[3,4-b]indol-1-one
Also Known As: 10-benzyl-2-methyl-4,5-dihydro-3H-azepino[3,4-b]indol-1-one, 10-benzyl-2-methyl-2,3,4,5-tetrahydroazepino[3,4-b]indol-1(10H)-one, 10-benzyl-2-methyl-3,4,5,10-tetrahydroazepino[3,4-b]indol-1(2H)-one
| Molecular Formula | C20H20N2O |
| Molecular Weight | 304.15756 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 25.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.15756 Da |
| Heavy Atoms | 23 |
| Complexity | 431.0 |
| SMILES | CN1CCCC2=C(C1=O)N(C3=CC=CC=C23)CC4=CC=CC=C4 |
| InChIKey | BGHXSZIWOBGEKR-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 10-benzyl-2-methyl-4,5-dihydro-3H-azepino[3,4-b]indol-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.2 Ų, 10-benzyl-2-methyl-4,5-dihydro-3H-azepino[3,4-b]indol-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-benzyl-2-methyl-4,5-dihydro-3H-azepino[3,4-b]indol-1-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 10-benzyl-2-methyl-4,5-dihydro-3H-azepino[3,4-b]indol-1-one is 122510-78-5.
The molecular formula of 10-benzyl-2-methyl-4,5-dihydro-3H-azepino[3,4-b]indol-1-one is C20H20N2O.
The molecular weight of 10-benzyl-2-methyl-4,5-dihydro-3H-azepino[3,4-b]indol-1-one is 304.15756 g/mol.
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