Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester
TL;DR: Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester (CAS 132710-79-3) is a chemical compound with molecular formula C13H19NO3S and molecular weight 269.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 4-methylbenzenesulfonate
Also Known As: 1-methylpiperidin-4-yl 4-methylbenzenesulfonate, Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester, 1-Methyl-4-piperidinyl 4-methylbenzenesulfonate, 1-methylpiperidin-4-yl 4-methylbenzene-1-sulfonate, (1-methylpiperidin-4-yl) 4-methylbenzenesulfonate
| Molecular Formula | C13H19NO3S |
|---|---|
| Molecular Weight | 269.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.10855 |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 132710-79-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2CCN(CC2)C |
| InChIKey | SHXBDIPVBFVOMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester (CAS 132710-79-3), with molecular formula C13H19NO3S and molecular weight 269.11 g/mol. IUPAC: (1-methylpiperidin-4-yl) 4-methylbenzenesulfonate.
Chemical Property Profile of Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester
Property Insights of Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester. With a topological polar surface area (TPSA) of 55.0 Ų, Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester has 0 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 Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester?
The CAS number of Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester is 132710-79-3.
What is the molecular formula of Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester?
The molecular formula of Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester is C13H19NO3S.
What is the molecular weight of Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester?
The molecular weight of Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester is 269.11 g/mol.
Where can I buy Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester?
You can request a quote for Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Toluene-4-sulfonic acid 1-methyl-piperidin-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.