TL;DR: 11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-5-(3-(diethylamino)propyl)- (CAS 13961-22-3) is a chemical compound with molecular formula C20H25N3O and molecular weight 323.19977 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-[3-(diethylamino)propyl]-5H-benzo[b][1,4]benzodiazepin-6-one
Also Known As: 11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-5-(3-(diethylamino)propyl)-, 5-24-04-00112 (Beilstein Handbook Reference), 11-[3-(diethylamino)propyl]-5H-benzo[b][1,4]benzodiazepin-6-one, 5-[3-(Diethylamino)propyl]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, 5-(3-(Diethylamino)propyl)-5,10-dihydro-11H-dibenzo(b,e)(1,4)diazepin-11-one
| Molecular Formula | C20H25N3O |
| Molecular Weight | 323.19977 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.19977 Da |
| Heavy Atoms | 24 |
| Complexity | 410.0 |
| SMILES | CCN(CC)CCCN1C2=CC=CC=C2C(=O)NC3=CC=CC=C31 |
| InChIKey | IVFHUYCFFOSCLM-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-5-(3-(diethylamino)propyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.6 Ų, 11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-5-(3-(diethylamino)propyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-5-(3-(diethylamino)propyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-5-(3-(diethylamino)propyl)- is 13961-22-3.
The molecular formula of 11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-5-(3-(diethylamino)propyl)- is C20H25N3O.
The molecular weight of 11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-5-(3-(diethylamino)propyl)- is 323.19977 g/mol.
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