Octanoic acid, 4-sulfophenyl ester
TL;DR: Octanoic acid, 4-sulfophenyl ester (CAS 101615-66-1) is a chemical compound with molecular formula C14H20O5S and molecular weight 300.10315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-octanoyloxybenzenesulfonic acid
Also Known As: 4-octanoyloxybenzenesulfonic Acid, Octanoic acid, 4-sulfophenyl ester, 4-(octanoyloxy)benzenesulfonic acid, 4-(Octanoyloxy)benzene-1-sulfonic acid
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H20O5S |
| Molecular Weight | 300.10315 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 300.10315 Da |
| Heavy Atoms | 20 |
| Complexity | 377.0 |
| SMILES | CCCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | KHNBMTJPINZOSC-UHFFFAOYSA-N |
Chemical Property Profile of Octanoic acid, 4-sulfophenyl ester
Property Insights of Octanoic acid, 4-sulfophenyl ester
The XLogP value of 3.4 indicates that Octanoic acid, 4-sulfophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Octanoic acid, 4-sulfophenyl ester. Following Lipinski's Rule of Five, Octanoic acid, 4-sulfophenyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Octanoic acid, 4-sulfophenyl ester?
The CAS number of Octanoic acid, 4-sulfophenyl ester is 101615-66-1.
What is the molecular formula of Octanoic acid, 4-sulfophenyl ester?
The molecular formula of Octanoic acid, 4-sulfophenyl ester is C14H20O5S.
What is the molecular weight of Octanoic acid, 4-sulfophenyl ester?
The molecular weight of Octanoic acid, 4-sulfophenyl ester is 300.10315 g/mol.
Where can I buy Octanoic acid, 4-sulfophenyl ester?
You can request a quote for Octanoic acid, 4-sulfophenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octanoic acid, 4-sulfophenyl ester?
Yes, CoreyChem provides custom synthesis services for Octanoic acid, 4-sulfophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.