1-Benzyl-3-cyanopyridin-1-ium chloride
TL;DR: 1-Benzyl-3-cyanopyridin-1-ium chloride (CAS 14535-08-1) is a chemical compound with molecular formula C13H11ClN2 and molecular weight 230.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylpyridin-1-ium-3-carbonitrile chloride
Also Known As: 1-Benzyl-3-cyanopyridinium chloride, Pyridinium, 1-benzyl-3-cyano-, chloride, N-benzyl-3-cyanopyridinium chloride, N1-Benzyl-3-cyanopyridinium chloride, 1-BENZYL-3-CYANOPYRIDIN-1-IUM CHLORIDE
| Molecular Formula | C13H11ClN2 |
|---|---|
| Molecular Weight | 230.06 g/mol |
| LogP | -1.10192 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.06108 |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 14535-08-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C#N.[Cl-] |
| InChIKey | FCWNDFCUHFLPLJ-UHFFFAOYSA-M |
Product Overview
1-Benzyl-3-cyanopyridin-1-ium chloride (CAS 14535-08-1), with molecular formula C13H11ClN2 and molecular weight 230.06 g/mol. IUPAC: 1-benzylpyridin-1-ium-3-carbonitrile chloride.
Chemical Property Profile of 1-Benzyl-3-cyanopyridin-1-ium chloride
Property Insights of 1-Benzyl-3-cyanopyridin-1-ium chloride
The XLogP value of -1.10192 indicates that 1-Benzyl-3-cyanopyridin-1-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.7 Ų, 1-Benzyl-3-cyanopyridin-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-3-cyanopyridin-1-ium chloride 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
Frequently Asked Questions
What is the CAS number of 1-Benzyl-3-cyanopyridin-1-ium chloride?
The CAS number of 1-Benzyl-3-cyanopyridin-1-ium chloride is 14535-08-1.
What is the molecular formula of 1-Benzyl-3-cyanopyridin-1-ium chloride?
The molecular formula of 1-Benzyl-3-cyanopyridin-1-ium chloride is C13H11ClN2.
What is the molecular weight of 1-Benzyl-3-cyanopyridin-1-ium chloride?
The molecular weight of 1-Benzyl-3-cyanopyridin-1-ium chloride is 230.06 g/mol.
Where can I buy 1-Benzyl-3-cyanopyridin-1-ium chloride?
You can request a quote for 1-Benzyl-3-cyanopyridin-1-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-3-cyanopyridin-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-cyanopyridin-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.