TL;DR: CID 105873 (CAS 67874-38-8) is a chemical compound with molecular formula C26H48O2 and molecular weight 392.36542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methylheptyl octadeca-9,12-dienoate
Also Known As: 9,12-Octadecadienoic acid (9Z,12Z)-, isooctyl ester
| Molecular Formula | C26H48O2 |
| Molecular Weight | 392.36542 g/mol |
| XLogP | 10.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 21 |
| Exact Mass | 392.36542 Da |
| Heavy Atoms | 28 |
| Complexity | 382.0 |
| SMILES | CCCCCC=CCC=CCCCCCCCC(=O)OCCCCCC(C)C |
| InChIKey | SHJGZTHMRQYWME-UHFFFAOYSA-N |
The XLogP value of 10.0 indicates that CID 105873 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, CID 105873 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CID 105873 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CID 105873 is 67874-38-8.
The molecular formula of CID 105873 is C26H48O2.
The molecular weight of CID 105873 is 392.36542 g/mol.
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