TL;DR: 2,4,6,8-Nonatetraenoicacid, 3,7-dimethyl-9-[2-(nonyloxy)phenyl]-, (2E,4E,6E,8E)- (CAS 103009-91-2) is a chemical compound with molecular formula C26H36O3 and molecular weight 396.26645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethyl-9-(2-nonoxyphenyl)nona-2,4,6,8-tetraenoic acid
Also Known As: Ro 23-2895, 2,4,6,8-Nonatetraenoicacid, 3,7-dimethyl-9-[2-(nonyloxy)phenyl]-, (2E,4E,6E,8E)-, 3,7-dimethyl-9-(2-nonoxyphenyl)nona-2,4,6,8-tetraenoic acid, (all-E)-9-(2-(Nonyloxy)phenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid, 3,7-Dimethyl-9-(2-(nonyloxy)phenyl)-2,4,6,8-nonatetraenoic acid (all-E)-
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C26H36O3 |
| Molecular Weight | 396.26645 g/mol |
| XLogP | 9.0 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 396.26645 Da |
| Heavy Atoms | 29 |
| Complexity | 569.0 |
| SMILES | CCCCCCCCCOC1=CC=CC=C1C=CC(=CC=CC(=CC(=O)O)C)C |
| InChIKey | YICSHLQWGQTKJL-UHFFFAOYSA-N |
The XLogP value of 9.0 indicates that 2,4,6,8-Nonatetraenoicacid, 3,7-dimethyl-9-[2-(nonyloxy)phenyl]-, (2E,4E,6E,8E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2,4,6,8-Nonatetraenoicacid, 3,7-dimethyl-9-[2-(nonyloxy)phenyl]-, (2E,4E,6E,8E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6,8-Nonatetraenoicacid, 3,7-dimethyl-9-[2-(nonyloxy)phenyl]-, (2E,4E,6E,8E)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,4,6,8-Nonatetraenoicacid, 3,7-dimethyl-9-[2-(nonyloxy)phenyl]-, (2E,4E,6E,8E)- is 103009-91-2.
The molecular formula of 2,4,6,8-Nonatetraenoicacid, 3,7-dimethyl-9-[2-(nonyloxy)phenyl]-, (2E,4E,6E,8E)- is C26H36O3.
The molecular weight of 2,4,6,8-Nonatetraenoicacid, 3,7-dimethyl-9-[2-(nonyloxy)phenyl]-, (2E,4E,6E,8E)- is 396.26645 g/mol.
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