4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1)
TL;DR: 4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1) (CAS 35531-84-1) is a chemical compound with molecular formula C16H27NO3S and molecular weight 313.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonic acid;2,2,6,6-tetramethylpiperidine
Also Known As: TP toluenesulfonate, Piperidine, 2,2,6,6-tetramethyl-, p-toluenesulfonate, 2,2,6,6-Tetramethylpiperidine p-toluenesulfonate, Piperidine, 2,2,6,6-tetramethyl-, 4-methylbenzenesulfonate, 2,2,6,6-tetramethylpiperidine 4-methylbenzenesulfonate(1:1)
| Molecular Formula | C16H27NO3S |
|---|---|
| Molecular Weight | 313.17 g/mol |
| LogP | 3.55882 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.17117 |
| Heavy Atoms | 21 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 35531-84-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC1(CCCC(N1)(C)C)C |
| InChIKey | YKKDFXKIOBJFNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1) (CAS 35531-84-1), with molecular formula C16H27NO3S and molecular weight 313.17 g/mol. IUPAC: 4-methylbenzenesulfonic acid;2,2,6,6-tetramethylpiperidine.
Chemical Property Profile of 4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1)
Property Insights of 4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1)
The XLogP value of 3.55882 indicates that 4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1). Following Lipinski's Rule of Five, 4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1) has 2 hydrogen bond donor(s) and 4 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 4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1)?
The CAS number of 4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1) is 35531-84-1.
What is the molecular formula of 4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1)?
The molecular formula of 4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1) is C16H27NO3S.
What is the molecular weight of 4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1)?
The molecular weight of 4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1) is 313.17 g/mol.
Where can I buy 4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1)?
You can request a quote for 4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylbenzene-1-sulfonic acid--2,2,6,6-tetramethylpiperidine (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.