TL;DR: 6-(4-Ethylphenyl)benzo[d][2]benzazepine-5,7-dione (CAS 100892-04-4) is a chemical compound with molecular formula C22H17NO2 and molecular weight 327.12592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-ethylphenyl)benzo[d][2]benzazepine-5,7-dione
Also Known As: 6-(4-ethylphenyl)benzo[d][2]benzazepine-5,7-dione, 6-(4-ethylphenyl)-5H-dibenzo[c,e]azepine-5,7(6H)-dione, F0555-0075, 6-(4-Ethylphenyl)-5H-dibenz[c,e]azepine-5,7(6H)-dione, 9-(4-ethylphenyl)-9-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaene-8,10-dione
| Molecular Formula | C22H17NO2 |
| Molecular Weight | 327.12592 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.12592 Da |
| Heavy Atoms | 25 |
| Complexity | 474.0 |
| SMILES | CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C4=CC=CC=C4C2=O |
| InChIKey | BHEMYNAYOPVCKD-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 6-(4-Ethylphenyl)benzo[d][2]benzazepine-5,7-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, 6-(4-Ethylphenyl)benzo[d][2]benzazepine-5,7-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(4-Ethylphenyl)benzo[d][2]benzazepine-5,7-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-(4-Ethylphenyl)benzo[d][2]benzazepine-5,7-dione is 100892-04-4.
The molecular formula of 6-(4-Ethylphenyl)benzo[d][2]benzazepine-5,7-dione is C22H17NO2.
The molecular weight of 6-(4-Ethylphenyl)benzo[d][2]benzazepine-5,7-dione is 327.12592 g/mol.
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