Piperidine, 4-methylbenzenesulfonate (1:1)
TL;DR: Piperidine, 4-methylbenzenesulfonate (1:1) (CAS 98482-77-0) is a chemical compound with molecular formula C12H19NO3S and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonic acid;piperidine
Also Known As: Piperidine, 4-methylbenzenesulfonate, Piperidinium toluene-4-sulphonate, Piperidinium toluene-4-sulfonate, 4-methylbenzenesulfonic acid;piperidine, piperidinium 4-methylbenzenesulfonate
| Molecular Formula | C12H19NO3S |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 2.00162 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.10855 |
| Heavy Atoms | 17 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 98482-77-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1CCNCC1 |
| InChIKey | ZHBMGKRWRNEMOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Piperidine, 4-methylbenzenesulfonate (1:1) (CAS 98482-77-0), with molecular formula C12H19NO3S and molecular weight 257.11 g/mol. IUPAC: 4-methylbenzenesulfonic acid;piperidine.
Chemical Property Profile of Piperidine, 4-methylbenzenesulfonate (1:1)
Property Insights of Piperidine, 4-methylbenzenesulfonate (1:1)
The XLogP value of 2.00162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidine, 4-methylbenzenesulfonate (1:1). The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperidine, 4-methylbenzenesulfonate (1:1). Following Lipinski's Rule of Five, Piperidine, 4-methylbenzenesulfonate (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 Piperidine, 4-methylbenzenesulfonate (1:1)?
The CAS number of Piperidine, 4-methylbenzenesulfonate (1:1) is 98482-77-0.
What is the molecular formula of Piperidine, 4-methylbenzenesulfonate (1:1)?
The molecular formula of Piperidine, 4-methylbenzenesulfonate (1:1) is C12H19NO3S.
What is the molecular weight of Piperidine, 4-methylbenzenesulfonate (1:1)?
The molecular weight of Piperidine, 4-methylbenzenesulfonate (1:1) is 257.11 g/mol.
Where can I buy Piperidine, 4-methylbenzenesulfonate (1:1)?
You can request a quote for Piperidine, 4-methylbenzenesulfonate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidine, 4-methylbenzenesulfonate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Piperidine, 4-methylbenzenesulfonate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.