Pyridinium, 4-cyano-1-ethyl-
TL;DR: Pyridinium, 4-cyano-1-ethyl- (CAS 45821-46-3) is a chemical compound with molecular formula C8H9N2+ and molecular weight 133.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylpyridin-1-ium-4-carbonitrile
Also Known As: Pyridinium, 4-cyano-1-ethyl-, 4-Cyano-1-ethylpyridinium, 1-ethylpyridin-1-ium-4-carbonitrile, 4-cyano-1-ethyl-pyridinium cation, 4-CYANO-1-ETHYLPYRIDIN-1-IUM
| Molecular Formula | C8H9N2+ |
|---|---|
| Molecular Weight | 133.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 133.07657 |
| Heavy Atoms | 10 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 45821-46-3 |
|---|---|
| SMILES | CC[N+]1=CC=C(C=C1)C#N |
| InChIKey | PQYVXRUPWMDYRR-UHFFFAOYSA-N |
Product Overview
Pyridinium, 4-cyano-1-ethyl- (CAS 45821-46-3), with molecular formula C8H9N2+ and molecular weight 133.08 g/mol. IUPAC: 1-ethylpyridin-1-ium-4-carbonitrile.
Chemical Property Profile of Pyridinium, 4-cyano-1-ethyl-
Property Insights of Pyridinium, 4-cyano-1-ethyl-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 4-cyano-1-ethyl-. With a topological polar surface area (TPSA) of 27.7 Ų, Pyridinium, 4-cyano-1-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 4-cyano-1-ethyl- 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, 4-cyano-1-ethyl-?
The CAS number of Pyridinium, 4-cyano-1-ethyl- is 45821-46-3.
What is the molecular formula of Pyridinium, 4-cyano-1-ethyl-?
The molecular formula of Pyridinium, 4-cyano-1-ethyl- is C8H9N2+.
What is the molecular weight of Pyridinium, 4-cyano-1-ethyl-?
The molecular weight of Pyridinium, 4-cyano-1-ethyl- is 133.08 g/mol.
Where can I buy Pyridinium, 4-cyano-1-ethyl-?
You can request a quote for Pyridinium, 4-cyano-1-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 4-cyano-1-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 4-cyano-1-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.