TL;DR: bis[(E)-octadec-9-enyl] (E)-but-2-enedioate (CAS 105-73-7) is a chemical compound with molecular formula C40H72O4 and molecular weight 616.5431 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(octadec-9-enyl) but-2-enedioate
Also Known As: bis[(E)-octadec-9-enyl] (E)-but-2-enedioate
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C40H72O4 |
| Molecular Weight | 616.5431 g/mol |
| XLogP | 16.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 36 |
| Exact Mass | 616.5431 Da |
| Heavy Atoms | 44 |
| Complexity | 635.0 |
| SMILES | CCCCCCCCC=CCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCC=CCCCCCCCC |
| InChIKey | KRFDIKFDEHAOAL-UHFFFAOYSA-N |
The XLogP value of 16.0 indicates that bis[(E)-octadec-9-enyl] (E)-but-2-enedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, bis[(E)-octadec-9-enyl] (E)-but-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, bis[(E)-octadec-9-enyl] (E)-but-2-enedioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of bis[(E)-octadec-9-enyl] (E)-but-2-enedioate is 105-73-7.
The molecular formula of bis[(E)-octadec-9-enyl] (E)-but-2-enedioate is C40H72O4.
The molecular weight of bis[(E)-octadec-9-enyl] (E)-but-2-enedioate is 616.5431 g/mol.
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