TL;DR: MDL-74405 ion (CAS 146832-00-0) is a chemical compound with molecular formula C18H30NO2+ and molecular weight 292.22766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2S)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]ethyl-trimethylazanium
Also Known As: MDL-74405 ion, 2H-1-Benzopyran-2-ethanaminium, 3,4-dihydro-6-hydroxy-N,N,N,2,5,7,8-heptamethyl-, (2S)-, 2-(6-hydroxy-2,5,7,8-tetramethyl-chroman-2-yl)ethyl-trimethyl-azanium, (2S)-3,4-Dihydro-6-hydroxy-N,N,N,2,5,7,8-heptamethyl-2H-1-benzopyran-2-(ethanaminium)
| Molecular Formula | C18H30NO2+ |
| Molecular Weight | 292.22766 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.22766 Da |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
| SMILES | CC1=C(C2=C(CC[C@@](O2)(C)CC[N+](C)(C)C)C(=C1O)C)C |
| InChIKey | CYFUJFPQQKYUKZ-SFHVURJKSA-O |
The XLogP value of 3.7 indicates that MDL-74405 ion is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, MDL-74405 ion exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MDL-74405 ion 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 MDL-74405 ion is 146832-00-0.
The molecular formula of MDL-74405 ion is C18H30NO2+.
The molecular weight of MDL-74405 ion is 292.22766 g/mol.
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