Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1)
TL;DR: Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1) (CAS 68133-60-8) is a chemical compound with molecular formula C13H11ClNNaO2 and molecular weight 271.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;1-benzylpyridin-1-ium-3-carboxylate;chloride
Also Known As: BN-BETAINE, 1-Benzyl-3-carboxylatopyridinium sodium chloride, EC 268-692-9, sodium;1-benzylpyridin-1-ium-3-carboxylate;chloride, 1-Benzyl-3-sodiumcarboxy-pyridinium chloride
| Molecular Formula | C13H11ClNNaO2 |
|---|---|
| Molecular Weight | 271.04 g/mol |
| LogP | -5.61 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.0376 |
| Heavy Atoms | 18 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 68133-60-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)[O-].[Na+].[Cl-] |
| InChIKey | ONCDUCAWXQKSDE-UHFFFAOYSA-M |
Product Overview
Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1) (CAS 68133-60-8), with molecular formula C13H11ClNNaO2 and molecular weight 271.04 g/mol. IUPAC: sodium;1-benzylpyridin-1-ium-3-carboxylate;chloride.
Chemical Property Profile of Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1)
Property Insights of Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1)
The XLogP value of -5.61 indicates that Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.0 Ų, Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1) has 0 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 Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1)?
The CAS number of Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1) is 68133-60-8.
What is the molecular formula of Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1)?
The molecular formula of Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1) is C13H11ClNNaO2.
What is the molecular weight of Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1)?
The molecular weight of Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1) is 271.04 g/mol.
Where can I buy Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1)?
You can request a quote for Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt (1:1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.