2-hexadecylbenzenesulfonic Acid
TL;DR: 2-hexadecylbenzenesulfonic Acid (CAS 50852-38-5) is a chemical compound with molecular formula C22H38O3S and molecular weight 382.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexadecylbenzenesulfonic acid
Also Known As: 2-hexadecylbenzenesulfonic Acid, cetylbenzenesulfonic acid, hexadecylbenzenesulfonic acid, Benzenesulfonic acid,hexadecyl, 2-hexadecylbenzene-1-sulfonic acid
| Molecular Formula | C22H38O3S |
|---|---|
| Molecular Weight | 382.25 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 382.25418 |
| Heavy Atoms | 26 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 50852-38-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O |
| InChIKey | CTIFKKWVNGEOBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-hexadecylbenzenesulfonic Acid (CAS 50852-38-5), with molecular formula C22H38O3S and molecular weight 382.25 g/mol. IUPAC: 2-hexadecylbenzenesulfonic acid.
Chemical Property Profile of 2-hexadecylbenzenesulfonic Acid
Property Insights of 2-hexadecylbenzenesulfonic Acid
The XLogP value of 9.0 indicates that 2-hexadecylbenzenesulfonic 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 2-hexadecylbenzenesulfonic Acid. Following Lipinski's Rule of Five, 2-hexadecylbenzenesulfonic 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 2-hexadecylbenzenesulfonic Acid?
The CAS number of 2-hexadecylbenzenesulfonic Acid is 50852-38-5.
What is the molecular formula of 2-hexadecylbenzenesulfonic Acid?
The molecular formula of 2-hexadecylbenzenesulfonic Acid is C22H38O3S.
What is the molecular weight of 2-hexadecylbenzenesulfonic Acid?
The molecular weight of 2-hexadecylbenzenesulfonic Acid is 382.25 g/mol.
Where can I buy 2-hexadecylbenzenesulfonic Acid?
You can request a quote for 2-hexadecylbenzenesulfonic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-hexadecylbenzenesulfonic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-hexadecylbenzenesulfonic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.