TL;DR: 20-(4-Nonylphenoxy)-3,6,9,12,15,18-hexaoxaeicosan-1-ol (CAS 27942-27-4) is a chemical compound with molecular formula C29H52O8 and molecular weight 528.3662 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Also Known As: Nonoxynol-9 analog, NPEO7, Nonylphenol-7-ethoxylate, 20-(4-Nonylphenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol, 20-(4-Nonylphenoxy)-3,6,9,12,15,18-hexaoxaeicosan-1-ol
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C29H52O8 |
| Molecular Weight | 528.3662 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 84.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 29 |
| Exact Mass | 528.3662 Da |
| Heavy Atoms | 37 |
| Complexity | 432.0 |
| SMILES | CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCO |
| InChIKey | ATBQNLZREVOGBO-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 20-(4-Nonylphenoxy)-3,6,9,12,15,18-hexaoxaeicosan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 20-(4-Nonylphenoxy)-3,6,9,12,15,18-hexaoxaeicosan-1-ol. Following Lipinski's Rule of Five, 20-(4-Nonylphenoxy)-3,6,9,12,15,18-hexaoxaeicosan-1-ol has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 20-(4-Nonylphenoxy)-3,6,9,12,15,18-hexaoxaeicosan-1-ol is 27942-27-4.
The molecular formula of 20-(4-Nonylphenoxy)-3,6,9,12,15,18-hexaoxaeicosan-1-ol is C29H52O8.
The molecular weight of 20-(4-Nonylphenoxy)-3,6,9,12,15,18-hexaoxaeicosan-1-ol is 528.3662 g/mol.
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