pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt
TL;DR: pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt (CAS 15990-43-9) is a chemical compound with molecular formula C13H11NO2 and molecular weight 213.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzylpyridin-1-ium-3-carboxylate
Also Known As: N-Benzylniacin, 1-benzylpyridin-1-ium-3-carboxylate, N-Benzylnicotinamide, 1-Benzyl pyridinium-3-carboxylate, 1-benzylpyridinium-3-carboxylate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.07898 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.07898 Da |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
| SMILES | C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)[O-] |
| InChIKey | AVWFAACIXBQMBF-UHFFFAOYSA-N |
Chemical Property Profile of pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt
Property Insights of pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt. With a topological polar surface area (TPSA) of 44.0 Ų, pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt 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
What is the CAS number of pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt?
The CAS number of pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt is 15990-43-9.
What is the molecular formula of pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt?
The molecular formula of pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt is C13H11NO2.
What is the molecular weight of pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt?
The molecular weight of pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt is 213.07898 g/mol.
Where can I buy pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt?
You can request a quote for pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt?
Yes, CoreyChem provides custom synthesis services for pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.