Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester
TL;DR: Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester (CAS 109652-97-3) is a chemical compound with molecular formula C20H18ClNO2 and molecular weight 339.1026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 1-benzylpyridin-1-ium-3-carboxylate chloride
Also Known As: nicotinic acid benzhydryl ester, 1-Benzyl-3-carboxypyridinium chloride benzyl ester, Chlorure de 1-benzyl-3-benzyl-carboxy-pyridinium, Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester, Chlorure de 1-benzyl-3-benzyl-carboxy-pyridinium [French]
Technical Specifications
| Molecular Formula | C20H18ClNO2 |
| Molecular Weight | 339.1026 g/mol |
| XLogP | 0.3834 |
| Topological Polar Surface Area (TPSA) | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.1026 Da |
| Heavy Atoms | 24 |
| Complexity | 359.0 |
| SMILES | C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)OCC3=CC=CC=C3.[Cl-] |
| InChIKey | AARAVMMXMHKDBC-UHFFFAOYSA-M |
Chemical Property Profile of Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester
Property Insights of Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester
The XLogP value of 0.3834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester. With a topological polar surface area (TPSA) of 30.2 Ų, Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester 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
What is the CAS number of Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester?
The CAS number of Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester is 109652-97-3.
What is the molecular formula of Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester?
The molecular formula of Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester is C20H18ClNO2.
What is the molecular weight of Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester?
The molecular weight of Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester is 339.1026 g/mol.
Where can I buy Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester?
You can request a quote for Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester?
Yes, CoreyChem provides custom synthesis services for Pyridinium, 1-benzyl-3-carboxy-, chloride, benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.