4-Hexadecylsulphonylaniline
TL;DR: 4-Hexadecylsulphonylaniline (CAS 6052-20-6) is a chemical compound with molecular formula C22H39NO2S and molecular weight 381.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hexadecylsulfonylaniline
Also Known As: 4-hexadecylsulfonylaniline, 4-Hexadecylsulphonylaniline, Trithioacetone, 4-(Hexadecylsulfonyl)aniline, p-(Hexadecylsulfonyl)aniline
| Molecular Formula | C22H39NO2S |
|---|---|
| Molecular Weight | 381.27 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 381.27014 |
| Heavy Atoms | 26 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 6052-20-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)N |
| InChIKey | CQZYNBUYMYMJFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hexadecylsulphonylaniline (CAS 6052-20-6), with molecular formula C22H39NO2S and molecular weight 381.27 g/mol. IUPAC: 4-hexadecylsulfonylaniline.
Chemical Property Profile of 4-Hexadecylsulphonylaniline
Property Insights of 4-Hexadecylsulphonylaniline
The XLogP value of 8.2 indicates that 4-Hexadecylsulphonylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hexadecylsulphonylaniline. Following Lipinski's Rule of Five, 4-Hexadecylsulphonylaniline 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 4-Hexadecylsulphonylaniline?
The CAS number of 4-Hexadecylsulphonylaniline is 6052-20-6.
What is the molecular formula of 4-Hexadecylsulphonylaniline?
The molecular formula of 4-Hexadecylsulphonylaniline is C22H39NO2S.
What is the molecular weight of 4-Hexadecylsulphonylaniline?
The molecular weight of 4-Hexadecylsulphonylaniline is 381.27 g/mol.
Where can I buy 4-Hexadecylsulphonylaniline?
You can request a quote for 4-Hexadecylsulphonylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexadecylsulphonylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexadecylsulphonylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.