1-Carboxymethylpyridinium
TL;DR: 1-Carboxymethylpyridinium (CAS 5153-63-9) is a chemical compound with molecular formula C7H7NO2 and molecular weight 137.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-1-ium-1-ylacetate
Also Known As: Pyridinioacetate, Pyridinium betaine, Pyridinioacetic acidanion, 1-carboxymethylpyridinium, ACETICACIDPYRIDINYLSALT
| Molecular Formula | C7H7NO2 |
|---|---|
| Molecular Weight | 137.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.04768 |
| Heavy Atoms | 10 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 5153-63-9 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)CC(=O)[O-] |
| InChIKey | GJJPLKJBULCRQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Carboxymethylpyridinium (CAS 5153-63-9), with molecular formula C7H7NO2 and molecular weight 137.05 g/mol. IUPAC: 2-pyridin-1-ium-1-ylacetate.
Chemical Property Profile of 1-Carboxymethylpyridinium
Property Insights of 1-Carboxymethylpyridinium
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Carboxymethylpyridinium. With a topological polar surface area (TPSA) of 44.0 Ų, 1-Carboxymethylpyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Carboxymethylpyridinium has 0 hydrogen bond donor(s) and 2 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 1-Carboxymethylpyridinium?
The CAS number of 1-Carboxymethylpyridinium is 5153-63-9.
What is the molecular formula of 1-Carboxymethylpyridinium?
The molecular formula of 1-Carboxymethylpyridinium is C7H7NO2.
What is the molecular weight of 1-Carboxymethylpyridinium?
The molecular weight of 1-Carboxymethylpyridinium is 137.05 g/mol.
Where can I buy 1-Carboxymethylpyridinium?
You can request a quote for 1-Carboxymethylpyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Carboxymethylpyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1-Carboxymethylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.