1-(Carboxymethyl)pyridin-1-ium
TL;DR: 1-(Carboxymethyl)pyridin-1-ium (CAS 63731-90-8) is a chemical compound with molecular formula C7H8NO2+ and molecular weight 138.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-1-ium-1-ylacetic acid
Also Known As: 1-(carboxymethyl)pyridinium, USAF IN-872, GJJPLKJBULCRQI-UHFFFAOYSA-, 2-pyridin-1-ium-1-ylacetic acid, 1-(CARBOXYMETHYL)PYRIDIN-1-IUM
| Molecular Formula | C7H8NO2+ |
|---|---|
| Molecular Weight | 138.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 41.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.0555 |
| Heavy Atoms | 10 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 63731-90-8 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)CC(=O)O |
| InChIKey | GJJPLKJBULCRQI-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Carboxymethyl)pyridin-1-ium (CAS 63731-90-8), with molecular formula C7H8NO2+ and molecular weight 138.06 g/mol. IUPAC: 2-pyridin-1-ium-1-ylacetic acid.
Chemical Property Profile of 1-(Carboxymethyl)pyridin-1-ium
Property Insights of 1-(Carboxymethyl)pyridin-1-ium
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Carboxymethyl)pyridin-1-ium. With a topological polar surface area (TPSA) of 41.2 Ų, 1-(Carboxymethyl)pyridin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Carboxymethyl)pyridin-1-ium has 1 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-(Carboxymethyl)pyridin-1-ium?
The CAS number of 1-(Carboxymethyl)pyridin-1-ium is 63731-90-8.
What is the molecular formula of 1-(Carboxymethyl)pyridin-1-ium?
The molecular formula of 1-(Carboxymethyl)pyridin-1-ium is C7H8NO2+.
What is the molecular weight of 1-(Carboxymethyl)pyridin-1-ium?
The molecular weight of 1-(Carboxymethyl)pyridin-1-ium is 138.06 g/mol.
Where can I buy 1-(Carboxymethyl)pyridin-1-ium?
You can request a quote for 1-(Carboxymethyl)pyridin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Carboxymethyl)pyridin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-(Carboxymethyl)pyridin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.