Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride (1:1)
TL;DR: Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride (1:1) (CAS 63870-18-8) is a chemical compound with molecular formula C14H12ClNO4 and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-formyl-2-(hydroxymethyl)phenyl]pyridin-1-ium-3-carboxylic acid chloride
Also Known As: N-(p-Hydroxytolualdehyde)-3-carboxypyridinium chloride, Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride, Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride (1:1), 1-[3-formyl-2-(hydroxymethyl)phenyl]pyridin-1-ium-3-carboxylic acid chloride, RefChem:177679
| Molecular Formula | C14H12ClNO4 |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | -2.0297 |
| Topological Polar Surface Area | 78.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.04547 |
| Heavy Atoms | 20 |
| Complexity | 642.82104 |
Chemical Identifiers
| CAS Number | 63870-18-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)[N+]2=CC=CC(=C2)C(=O)O)CO)C=O.[Cl-] |
Product Overview
Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride (1:1) (CAS 63870-18-8), with molecular formula C14H12ClNO4 and molecular weight 293.05 g/mol. IUPAC: 1-[3-formyl-2-(hydroxymethyl)phenyl]pyridin-1-ium-3-carboxylic acid chloride.
Chemical Property Profile of Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride (1:1)
Property Insights of Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride (1:1)
The XLogP value of -2.0297 indicates that Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride (1:1). Following Lipinski's Rule of Five, Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride (1:1) has 2 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-(formylhydroxymethylphenyl)-, chloride (1:1)?
The CAS number of Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride (1:1) is 63870-18-8.
What is the molecular formula of Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride (1:1)?
The molecular formula of Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride (1:1) is C14H12ClNO4.
What is the molecular weight of Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride (1:1)?
The molecular weight of Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride (1:1) is 293.05 g/mol.
Where can I buy Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride (1:1)?
You can request a quote for Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride (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-(formylhydroxymethylphenyl)-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-carboxy-1-(formylhydroxymethylphenyl)-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.