5-Chloro-2-(octyloxy)benzoic acid
TL;DR: 5-Chloro-2-(octyloxy)benzoic acid (CAS 27830-15-5) is a chemical compound with molecular formula C15H21ClO3 and molecular weight 284.11792 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2-octoxybenzoic acid
Also Known As: 5-chloro-2-octoxybenzoic acid, 5-chloro-2-octoxy-benzoic Acid, 5-CHLORO-2-(OCTYLOXY)BENZOIC ACID
Technical Specifications
| Molecular Formula | C15H21ClO3 |
| Molecular Weight | 284.11792 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 284.11792 Da |
| Heavy Atoms | 19 |
| Complexity | 258.0 |
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)Cl)C(=O)O |
| InChIKey | UCRFIUVPOGZKMC-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-2-(octyloxy)benzoic acid
Property Insights of 5-Chloro-2-(octyloxy)benzoic acid
The XLogP value of 5.6 indicates that 5-Chloro-2-(octyloxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 5-Chloro-2-(octyloxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-(octyloxy)benzoic acid has 1 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 5-Chloro-2-(octyloxy)benzoic acid?
The CAS number of 5-Chloro-2-(octyloxy)benzoic acid is 27830-15-5.
What is the molecular formula of 5-Chloro-2-(octyloxy)benzoic acid?
The molecular formula of 5-Chloro-2-(octyloxy)benzoic acid is C15H21ClO3.
What is the molecular weight of 5-Chloro-2-(octyloxy)benzoic acid?
The molecular weight of 5-Chloro-2-(octyloxy)benzoic acid is 284.11792 g/mol.
Where can I buy 5-Chloro-2-(octyloxy)benzoic acid?
You can request a quote for 5-Chloro-2-(octyloxy)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-2-(octyloxy)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-2-(octyloxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.