TL;DR: methyl (Z)-2-chloro-18-hydroxyoctadec-2-enoate (CAS 138876-05-8) is a chemical compound with molecular formula C19H35ClO3 and molecular weight 346.22748 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (Z)-2-chloro-18-hydroxyoctadec-2-enoate
Also Known As: methyl (Z)-2-chloro-18-hydroxyoctadec-2-enoate, Methyl (Z)-2-chloro-18-hydroxy-octadec-2-enoate, Octadec-2-enoic acid, 2-chloro-18-hydroxy-, methyl ester, (Z)-
| Molecular Formula | C19H35ClO3 |
| Molecular Weight | 346.22748 g/mol |
| XLogP | 7.7 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 346.22748 Da |
| Heavy Atoms | 23 |
| Complexity | 303.0 |
| SMILES | COC(=O)/C(=C/CCCCCCCCCCCCCCCO)/Cl |
| InChIKey | HOKADPUKLGSKST-VLGSPTGOSA-N |
The XLogP value of 7.7 indicates that methyl (Z)-2-chloro-18-hydroxyoctadec-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, methyl (Z)-2-chloro-18-hydroxyoctadec-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (Z)-2-chloro-18-hydroxyoctadec-2-enoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of methyl (Z)-2-chloro-18-hydroxyoctadec-2-enoate is 138876-05-8.
The molecular formula of methyl (Z)-2-chloro-18-hydroxyoctadec-2-enoate is C19H35ClO3.
The molecular weight of methyl (Z)-2-chloro-18-hydroxyoctadec-2-enoate is 346.22748 g/mol.
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