TL;DR: Methyl Icos-13-enoate (CAS 69120-02-1) is a chemical compound with molecular formula C21H40O2 and molecular weight 324.30283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl icos-13-enoate
Also Known As: Methyl Icos-13-enoate, Methyl 13-eicosenoate, methyl (Z)-icos-13-enoate, cis-13-Eicosenoic acid methyl ester
| Molecular Formula | C21H40O2 |
| Molecular Weight | 324.30283 g/mol |
| XLogP | 8.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 324.30283 Da |
| Heavy Atoms | 23 |
| Complexity | 271.0 |
| SMILES | CCCCCCC=CCCCCCCCCCCCC(=O)OC |
| InChIKey | XQXARCJTXXEQEX-UHFFFAOYSA-N |
The XLogP value of 8.7 indicates that Methyl Icos-13-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl Icos-13-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl Icos-13-enoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Methyl Icos-13-enoate is 69120-02-1.
The molecular formula of Methyl Icos-13-enoate is C21H40O2.
The molecular weight of Methyl Icos-13-enoate is 324.30283 g/mol.
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