TL;DR: 7-Chloro-8-hydroxy-1-(4'-(4-fluorobenzyl)thiophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CAS 154540-50-8) is a chemical compound with molecular formula C24H23ClFNOS and molecular weight 427.11728 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-chloro-5-[4-[(4-fluorophenyl)methylsulfanyl]phenyl]-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Also Known As: 7-Chloro-8-hydroxy-1-(4'-(4-fluorobenzyl)thiophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, 8-chloro-5-[4-[(4-fluorophenyl)methylsulfanyl]phenyl]-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol, 7-Chloro-1-[4-[(4-Fluorophenyl)Methylsulfanyl]Phenyl]-3-Methyl-1,2,4,5-Tetrahydro-3-Benzazepin-8-Ol, 8-Chloro-5-(4-{[(4-fluorophenyl)methyl]sulfanyl}phenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol, T30603
| Molecular Formula | C24H23ClFNOS |
| Molecular Weight | 427.11728 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 48.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.11728 Da |
| Heavy Atoms | 29 |
| Complexity | 509.0 |
| SMILES | CN1CCC2=CC(=C(C=C2C(C1)C3=CC=C(C=C3)SCC4=CC=C(C=C4)F)O)Cl |
| InChIKey | IZYJWVAIDPHRFD-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that 7-Chloro-8-hydroxy-1-(4'-(4-fluorobenzyl)thiophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.8 Ų, 7-Chloro-8-hydroxy-1-(4'-(4-fluorobenzyl)thiophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-8-hydroxy-1-(4'-(4-fluorobenzyl)thiophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 7-Chloro-8-hydroxy-1-(4'-(4-fluorobenzyl)thiophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is 154540-50-8.
The molecular formula of 7-Chloro-8-hydroxy-1-(4'-(4-fluorobenzyl)thiophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is C24H23ClFNOS.
The molecular weight of 7-Chloro-8-hydroxy-1-(4'-(4-fluorobenzyl)thiophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine is 427.11728 g/mol.
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