对甲苯磺酸吡啶盐
TL;DR: 对甲苯磺酸吡啶盐 (CAS 27778-86-5) is a chemical compound with molecular formula C12H13NO3S and molecular weight 251.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对甲苯磺酸吡啶盐
4-methylbenzenesulfonate;pyridin-1-ium
Also Known As: Pyridinium p-toluenesulfonate, PPTS, Pyridin-1-ium 4-methylbenzenesulfonate, pyridinium tosylate, Pyridinium 4-toluenesulfonate
| Molecular Formula | C12H13NO3S |
|---|---|
| Molecular Weight | 251.06 g/mol |
| LogP | 1.39982 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.06161 |
| Heavy Atoms | 17 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 27778-86-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=[NH+]C=C1 |
| InChIKey | ZDYVRSLAEXCVBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对甲苯磺酸吡啶盐 (CAS 27778-86-5), with molecular formula C12H13NO3S and molecular weight 251.06 g/mol. IUPAC: 4-methylbenzenesulfonate;pyridin-1-ium.
Chemical Property Profile of 对甲苯磺酸吡啶盐
Property Insights of 对甲苯磺酸吡啶盐
The XLogP value of 1.39982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对甲苯磺酸吡啶盐. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 对甲苯磺酸吡啶盐. Following Lipinski's Rule of Five, 对甲苯磺酸吡啶盐 has 1 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 对甲苯磺酸吡啶盐?
The CAS number of 对甲苯磺酸吡啶盐 is 27778-86-5.
What is the molecular formula of 对甲苯磺酸吡啶盐?
The molecular formula of 对甲苯磺酸吡啶盐 is C12H13NO3S.
What is the molecular weight of 对甲苯磺酸吡啶盐?
The molecular weight of 对甲苯磺酸吡啶盐 is 251.06 g/mol.
Where can I buy 对甲苯磺酸吡啶盐?
You can request a quote for 对甲苯磺酸吡啶盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对甲苯磺酸吡啶盐?
Yes, KEHONG BIO provides custom synthesis services for 对甲苯磺酸吡啶盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.