Benzenesulfonic acid, octyl-
TL;DR: Benzenesulfonic acid, octyl- (CAS 25321-43-1) is a chemical compound with molecular formula C14H22O3S and molecular weight 270.12897 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-octylbenzenesulfonic acid
Also Known As: 3-octylbenzenesulfonic acid, Octylbenzenesulphonic acid, Benzenesulfonic acid, octyl-, Benzenesulfonic acid,octyl-, OCTYLBENZENESULFONIC ACID
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H22O3S |
| Molecular Weight | 270.12897 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 270.12897 Da |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
| SMILES | CCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O |
| InChIKey | RCIIZYWNMHOLBV-UHFFFAOYSA-N |
Chemical Property Profile of Benzenesulfonic acid, octyl-
Property Insights of Benzenesulfonic acid, octyl-
The XLogP value of 4.7 indicates that Benzenesulfonic acid, octyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, octyl-. Following Lipinski's Rule of Five, Benzenesulfonic acid, octyl- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzenesulfonic acid, octyl-?
The CAS number of Benzenesulfonic acid, octyl- is 25321-43-1.
What is the molecular formula of Benzenesulfonic acid, octyl-?
The molecular formula of Benzenesulfonic acid, octyl- is C14H22O3S.
What is the molecular weight of Benzenesulfonic acid, octyl-?
The molecular weight of Benzenesulfonic acid, octyl- is 270.12897 g/mol.
Where can I buy Benzenesulfonic acid, octyl-?
You can request a quote for Benzenesulfonic acid, octyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenesulfonic acid, octyl-?
Yes, CoreyChem provides custom synthesis services for Benzenesulfonic acid, octyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.