TL;DR: Nortropatepine (CAS 114506-98-8) is a chemical compound with molecular formula C21H21NS and molecular weight 319.13947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-azabicyclo[3.2.1]octane
Also Known As: Nortropatepine, 3-(dibenzo[b,e]thiepin-11(6h)-ylidene)-8-azabicyclo[3.2.1]octane, 3-Dimethylamino-2,2-dimethyl-7-hydroxy-1-tetralol, 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-8-azabicyclo[3.2.1]octane, 8-Azabicyclo(3.2.1)octane, 3-dibenzo(b,e)thiepin-11(6H)-ylidene-
| Molecular Formula | C21H21NS |
| Molecular Weight | 319.13947 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 319.13947 Da |
| Heavy Atoms | 23 |
| Complexity | 470.0 |
| SMILES | C1CC2CC(=C3C4=CC=CC=C4CSC5=CC=CC=C53)CC1N2 |
| InChIKey | GVWNTVLGPGKJBC-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that Nortropatepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Nortropatepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nortropatepine has 1 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 Nortropatepine is 114506-98-8.
The molecular formula of Nortropatepine is C21H21NS.
The molecular weight of Nortropatepine is 319.13947 g/mol.
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