TL;DR: 1,3,3,5-tetramethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepine hydrochloride (CAS 1052526-09-6) is a chemical compound with molecular formula C14H22ClN and molecular weight 239.14407 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,3,5-tetramethyl-1,2,4,5-tetrahydro-2-benzazepine;hydrochloride
Also Known As: 1,3,3,5-tetramethyl-2,3,4,5-tetrahydro-1H-2-benzazepine, 1,3,3,5-tetramethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepine hydrochloride, 1,3,3,5-tetramethyl-1,2,4,5-tetrahydro-2-benzazepine hydrochloride
| Molecular Formula | C14H22ClN |
| Molecular Weight | 239.14407 g/mol |
| XLogP | 4.0448 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.14407 Da |
| Heavy Atoms | 16 |
| Complexity | 221.0 |
| SMILES | CC1CC(NC(C2=CC=CC=C12)C)(C)C.Cl |
| InChIKey | KLKPPQSXIYLOCM-UHFFFAOYSA-N |
The XLogP value of 4.0448 indicates that 1,3,3,5-tetramethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 1,3,3,5-tetramethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3,5-tetramethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepine hydrochloride has 2 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 1,3,3,5-tetramethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepine hydrochloride is 1052526-09-6.
The molecular formula of 1,3,3,5-tetramethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepine hydrochloride is C14H22ClN.
The molecular weight of 1,3,3,5-tetramethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepine hydrochloride is 239.14407 g/mol.
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