p-Dodecylbenzenesulfonic acid
TL;DR: p-Dodecylbenzenesulfonic acid (CAS 121-65-3) is a chemical compound with molecular formula C18H30O3S and molecular weight 326.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-dodecylbenzenesulfonic acid
Also Known As: 4-DODECYLBENZENESULFONIC ACID, Dodecylbenzenesulfonic acid, p-dodecylbenzenesulfonic acid, Benzenesulfonic acid, 4-dodecyl-, dodecyl benzenesulfonic acid
| Molecular Formula | C18H30O3S |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 326.19156 |
| Heavy Atoms | 22 |
| Complexity | 351.0 |
| Melting Point | 10 °C |
| Density | Relative density (water = 1): 1 |
| Solubility | Solubility in water: very good |
| Flash Point | 148.9 °C o.c. |
Chemical Identifiers
| CAS Number | 121-65-3 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | KWXICGTUELOLSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Dodecylbenzenesulfonic acid (CAS 121-65-3), with molecular formula C18H30O3S and molecular weight 326.19 g/mol. IUPAC: 4-dodecylbenzenesulfonic acid.
Chemical Property Profile of p-Dodecylbenzenesulfonic acid
Property Insights of p-Dodecylbenzenesulfonic acid
The XLogP value of 7.0 indicates that p-Dodecylbenzenesulfonic acid 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 p-Dodecylbenzenesulfonic acid. Following Lipinski's Rule of Five, p-Dodecylbenzenesulfonic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of p-Dodecylbenzenesulfonic acid?
The CAS number of p-Dodecylbenzenesulfonic acid is 121-65-3.
What is the molecular formula of p-Dodecylbenzenesulfonic acid?
The molecular formula of p-Dodecylbenzenesulfonic acid is C18H30O3S.
What is the molecular weight of p-Dodecylbenzenesulfonic acid?
The molecular weight of p-Dodecylbenzenesulfonic acid is 326.19 g/mol.
Where can I buy p-Dodecylbenzenesulfonic acid?
You can request a quote for p-Dodecylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Dodecylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for p-Dodecylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.