TL;DR: UL-AH 99 (CAS 125846-62-0) is a chemical compound with molecular formula C27H39IN2O5 and molecular weight 598.19037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(7,8-dimethoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-3-yl)propyl-[2-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium iodide
Also Known As: UL-AH-99, UL-AH 99, Phenol,2-(bromomethyl)-6-(1,1-dimethylethyl)-,acetate, N-(2-(3,4-Dimethoxyphenyl)ethyl)-N-(1,3,4,5-tetrahydro-7,8-dimethoxy-3-benzazepin-2-on-3-yl)-N,N-dimethylammonium iodide, 3-(7,8-dimethoxy-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-dimethylpropan-1-aminium iodide
| Molecular Formula | C27H39IN2O5 |
| Molecular Weight | 598.19037 g/mol |
| XLogP | 0.3614 |
| Topological Polar Surface Area (TPSA) | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 598.19037 Da |
| Heavy Atoms | 35 |
| Complexity | 630.0 |
| SMILES | C[N+](C)(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CCC3=CC(=C(C=C3)OC)OC.[I-] |
| InChIKey | VZTYMQWOBGCTOO-UHFFFAOYSA-M |
The XLogP value of 0.3614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UL-AH 99. With a topological polar surface area (TPSA) of 57.2 Ų, UL-AH 99 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UL-AH 99 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of UL-AH 99 is 125846-62-0.
The molecular formula of UL-AH 99 is C27H39IN2O5.
The molecular weight of UL-AH 99 is 598.19037 g/mol.
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