TL;DR: all-trans-Retinylidene methyl nitrone (CAS 126924-36-5) is a chemical compound with molecular formula C21H31NO and molecular weight 313.24057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z,4E,6E,8E)-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine oxide
Also Known As: Retinylidene methylnitrone, all-trans-Retinylidene methyl nitrone, Methanamine, N-(3,7-dimethyl-9-2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatraenylidene)-,N-oxide, (all-E)-, (2Z,4E,6E,8E)-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine oxide
| Molecular Formula | C21H31NO |
| Molecular Weight | 313.24057 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 28.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.24057 Da |
| Heavy Atoms | 23 |
| Complexity | 595.0 |
| SMILES | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C=[N+](\C)/[O-])/C)/C |
| InChIKey | UMERTAMONDFPRZ-HLNFSUAPSA-N |
The XLogP value of 5.9 indicates that all-trans-Retinylidene methyl nitrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.8 Ų, all-trans-Retinylidene methyl nitrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, all-trans-Retinylidene methyl nitrone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of all-trans-Retinylidene methyl nitrone is 126924-36-5.
The molecular formula of all-trans-Retinylidene methyl nitrone is C21H31NO.
The molecular weight of all-trans-Retinylidene methyl nitrone is 313.24057 g/mol.
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