2',6'-Diethyl-p-toluenesulfonanilide
TL;DR: 2',6'-Diethyl-p-toluenesulfonanilide (CAS 4785-04-0) is a chemical compound with molecular formula C17H21NO2S and molecular weight 303.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide
Also Known As: Vinyl decanoate, 2',6'-Diethyl-p-toluenesulfonanilide, n-(2,6-diethylphenyl)-4-methylbenzenesulfonamide, p-Toluenesulfonanilide, 2',6'-diethyl-, N-(2,6-diethylphenyl)-p-toluenesulfonamide
| Molecular Formula | C17H21NO2S |
|---|---|
| Molecular Weight | 303.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.1293 |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 4785-04-0 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | CAXHZJKUHBMSPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2',6'-Diethyl-p-toluenesulfonanilide (CAS 4785-04-0), with molecular formula C17H21NO2S and molecular weight 303.13 g/mol. IUPAC: N-(2,6-diethylphenyl)-4-methylbenzenesulfonamide.
Chemical Property Profile of 2',6'-Diethyl-p-toluenesulfonanilide
Property Insights of 2',6'-Diethyl-p-toluenesulfonanilide
The XLogP value of 4.4 indicates that 2',6'-Diethyl-p-toluenesulfonanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, 2',6'-Diethyl-p-toluenesulfonanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2',6'-Diethyl-p-toluenesulfonanilide 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
Frequently Asked Questions
What is the CAS number of 2',6'-Diethyl-p-toluenesulfonanilide?
The CAS number of 2',6'-Diethyl-p-toluenesulfonanilide is 4785-04-0.
What is the molecular formula of 2',6'-Diethyl-p-toluenesulfonanilide?
The molecular formula of 2',6'-Diethyl-p-toluenesulfonanilide is C17H21NO2S.
What is the molecular weight of 2',6'-Diethyl-p-toluenesulfonanilide?
The molecular weight of 2',6'-Diethyl-p-toluenesulfonanilide is 303.13 g/mol.
Where can I buy 2',6'-Diethyl-p-toluenesulfonanilide?
You can request a quote for 2',6'-Diethyl-p-toluenesulfonanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2',6'-Diethyl-p-toluenesulfonanilide?
Yes, KEHONG BIO provides custom synthesis services for 2',6'-Diethyl-p-toluenesulfonanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.