2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid
TL;DR: 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid (CAS 111149-90-7) is a chemical compound with molecular formula C25H41ClO3 and molecular weight 424.2744 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-4-(1-hydroxyoctadecyl)benzoic acid
Also Known As: LODELABEN, Declaben, Lodelabenum, Lodelaben [USAN:INN], Lodelabenum [INN-Latin]
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C25H41ClO3 |
| Molecular Weight | 424.2744 g/mol |
| XLogP | 10.1 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 424.2744 Da |
| Heavy Atoms | 29 |
| Complexity | 402.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(C1=CC(=C(C=C1)C(=O)O)Cl)O |
| InChIKey | SYCYJNHKNPPDAT-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid
Property Insights of 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid
The XLogP value of 10.1 indicates that 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid?
The CAS number of 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid is 111149-90-7.
What is the molecular formula of 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid?
The molecular formula of 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid is C25H41ClO3.
What is the molecular weight of 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid?
The molecular weight of 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid is 424.2744 g/mol.
Where can I buy 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid?
You can request a quote for 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-4-(1-hydroxyoctadecyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.