TL;DR: 5H-Dibenz(c,e)azepine, 6,7-dihydro-6-(beta-(diethylamino)ethyl)- (CAS 63918-72-9) is a chemical compound with molecular formula C20H26N2 and molecular weight 294.2096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)-N,N-diethylethanamine
Also Known As: Ro 2-3404, Ro-2-3404, 4-20-00-03917 (Beilstein Handbook Reference), 6,7-Dihydro-6-(beta-(diethylamino)ethyl)-5H-dibenz(c,e)azepine, 5H-Dibenz(c,e)azepine, 6,7-dihydro-6-(beta-(diethylamino)ethyl)-
| Molecular Formula | C20H26N2 |
| Molecular Weight | 294.2096 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.2096 Da |
| Heavy Atoms | 22 |
| Complexity | 302.0 |
| SMILES | CCN(CC)CCN1CC2=CC=CC=C2C3=CC=CC=C3C1 |
| InChIKey | VNOGBPCURSCKDW-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 5H-Dibenz(c,e)azepine, 6,7-dihydro-6-(beta-(diethylamino)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, 5H-Dibenz(c,e)azepine, 6,7-dihydro-6-(beta-(diethylamino)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Dibenz(c,e)azepine, 6,7-dihydro-6-(beta-(diethylamino)ethyl)- 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 5H-Dibenz(c,e)azepine, 6,7-dihydro-6-(beta-(diethylamino)ethyl)- is 63918-72-9.
The molecular formula of 5H-Dibenz(c,e)azepine, 6,7-dihydro-6-(beta-(diethylamino)ethyl)- is C20H26N2.
The molecular weight of 5H-Dibenz(c,e)azepine, 6,7-dihydro-6-(beta-(diethylamino)ethyl)- is 294.2096 g/mol.
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