TL;DR: 4,8,12-Trimethyltridecanoic acid (CAS 10339-73-8) is a chemical compound with molecular formula C16H32O2 and molecular weight 256.24023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,8,12-trimethyltridecanoic acid
Also Known As: 4,8,12-Trimethyltridecanoic acid, Trimethyltridecanoate, trimethyldecanoic acid, Trimethyltridecanoic acid, 4,8,12-trimethyl-tridecanoic acid
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H32O2 |
| Molecular Weight | 256.24023 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 256.24023 Da |
| Heavy Atoms | 18 |
| Complexity | 211.0 |
| SMILES | CC(C)CCCC(C)CCCC(C)CCC(=O)O |
| InChIKey | FUYCAQNCWDAOLQ-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that 4,8,12-Trimethyltridecanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4,8,12-Trimethyltridecanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,8,12-Trimethyltridecanoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4,8,12-Trimethyltridecanoic acid is 10339-73-8.
The molecular formula of 4,8,12-Trimethyltridecanoic acid is C16H32O2.
The molecular weight of 4,8,12-Trimethyltridecanoic acid is 256.24023 g/mol.
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