4-Pyridineethanesulfonic acid
TL;DR: 4-Pyridineethanesulfonic acid (CAS 53054-76-5) is a chemical compound with molecular formula C7H9NO3S and molecular weight 187.03032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-pyridin-4-ylethanesulfonic acid
Also Known As: 4-Pyridineethanesulfonic acid, 2-(4-Pyridyl)ethanesulfonic acid, 2-pyridin-4-ylethanesulfonic acid, 2-(pyridin-4-yl)ethanesulfonic acid, 4-Pyridylethylsulfonic acid
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H9NO3S |
| Molecular Weight | 187.03032 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.03032 Da |
| Heavy Atoms | 12 |
| Complexity | 213.0 |
| SMILES | C1=CN=CC=C1CCS(=O)(=O)O |
| InChIKey | RGIIAYDCZSXHGL-UHFFFAOYSA-N |
Chemical Property Profile of 4-Pyridineethanesulfonic acid
Property Insights of 4-Pyridineethanesulfonic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridineethanesulfonic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyridineethanesulfonic acid. Following Lipinski's Rule of Five, 4-Pyridineethanesulfonic acid 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
What is the CAS number of 4-Pyridineethanesulfonic acid?
The CAS number of 4-Pyridineethanesulfonic acid is 53054-76-5.
What is the molecular formula of 4-Pyridineethanesulfonic acid?
The molecular formula of 4-Pyridineethanesulfonic acid is C7H9NO3S.
What is the molecular weight of 4-Pyridineethanesulfonic acid?
The molecular weight of 4-Pyridineethanesulfonic acid is 187.03032 g/mol.
Where can I buy 4-Pyridineethanesulfonic acid?
You can request a quote for 4-Pyridineethanesulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Pyridineethanesulfonic acid?
Yes, CoreyChem provides custom synthesis services for 4-Pyridineethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.