Pyridinium, 3-cyano-1-(phenylmethyl)-
TL;DR: Pyridinium, 3-cyano-1-(phenylmethyl)- (CAS 16183-87-2) is a chemical compound with molecular formula C13H11N2+ and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylpyridin-1-ium-3-carbonitrile
Also Known As: 1-Benzyl-3-cyanpyridinium, 1-benzyl-3-cyanopyridinium, 1-benzylpyridine-5-carbonitrile, Pyridinium, 3-cyano-1-(phenylmethyl)-, 1-Benzylpyridinium-3-carbonitrile
| Molecular Formula | C13H11N2+ |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.09222 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 16183-87-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C#N |
| InChIKey | GLTIROWHVNKHBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridinium, 3-cyano-1-(phenylmethyl)- (CAS 16183-87-2), with molecular formula C13H11N2+ and molecular weight 195.09 g/mol. IUPAC: 1-benzylpyridin-1-ium-3-carbonitrile.
Chemical Property Profile of Pyridinium, 3-cyano-1-(phenylmethyl)-
Property Insights of Pyridinium, 3-cyano-1-(phenylmethyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 3-cyano-1-(phenylmethyl)-. With a topological polar surface area (TPSA) of 27.7 Ų, Pyridinium, 3-cyano-1-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 3-cyano-1-(phenylmethyl)- has 0 hydrogen bond donor(s) and 1 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-cyano-1-(phenylmethyl)-?
The CAS number of Pyridinium, 3-cyano-1-(phenylmethyl)- is 16183-87-2.
What is the molecular formula of Pyridinium, 3-cyano-1-(phenylmethyl)-?
The molecular formula of Pyridinium, 3-cyano-1-(phenylmethyl)- is C13H11N2+.
What is the molecular weight of Pyridinium, 3-cyano-1-(phenylmethyl)-?
The molecular weight of Pyridinium, 3-cyano-1-(phenylmethyl)- is 195.09 g/mol.
Where can I buy Pyridinium, 3-cyano-1-(phenylmethyl)-?
You can request a quote for Pyridinium, 3-cyano-1-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 3-cyano-1-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-cyano-1-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.