![2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid structure](/static/products/1369/136997-71-2.webp)
2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid
TL;DR: 2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid (CAS 136997-71-2) is a chemical compound with molecular formula C10H15N2O4S+ and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid
Also Known As: 1-Dimethylcarbamoyl-4-(2-sulfoethyl)pyridinium betaine, 2-[1-(dimethylcarbamoyl)pyridin-4-yl]ethanesulfonic Acid, 1-(DIMETHYLCARBAMOYL)-4-(2-SULFOETHYL)PYRIDIN-1-IUM, 2-[1-(dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid
| Molecular Formula | C10H15N2O4S+ |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | -0.0659 |
| Topological Polar Surface Area | 78.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.07526 |
| Heavy Atoms | 17 |
| Complexity | 493.5421 |
Chemical Identifiers
| CAS Number | 136997-71-2 |
|---|---|
| SMILES | CN(C)C(=O)[N+]1=CC=C(C=C1)CCS(=O)(=O)O |
Product Overview
2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid (CAS 136997-71-2), with molecular formula C10H15N2O4S+ and molecular weight 259.08 g/mol. IUPAC: 2-[1-(dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid.
Chemical Property Profile of 2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid
Property Insights of 2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid
The XLogP value of -0.0659 indicates that 2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid. Following Lipinski's Rule of Five, 2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid has 1 hydrogen bond donor(s) and 3 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 2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid?
The CAS number of 2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid is 136997-71-2.
What is the molecular formula of 2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid?
The molecular formula of 2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid is C10H15N2O4S+.
What is the molecular weight of 2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid?
The molecular weight of 2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid is 259.08 g/mol.
Where can I buy 2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid?
You can request a quote for 2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(Dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.