1-(2-Propyn-1-yl)pyridinium
TL;DR: 1-(2-Propyn-1-yl)pyridinium (CAS 45705-44-0) is a chemical compound with molecular formula C8H8N+ and molecular weight 118.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-ynylpyridin-1-ium
Also Known As: 1-prop-2-ynylpyridine, 1-(2-Propynyl)pyridinium, 1-prop-2-ynylpyridin-1-ium, 1-(2-Propyn-1-yl)pyridinium, Pyridinium, 1-(2-propyn-1-yl)-
| Molecular Formula | C8H8N+ |
|---|---|
| Molecular Weight | 118.07 g/mol |
| LogP | 0.6073 |
| Topological Polar Surface Area | 3.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.065674 |
| Heavy Atoms | 9 |
| Complexity | 207.7593 |
Chemical Identifiers
| CAS Number | 45705-44-0 |
|---|---|
| SMILES | C#CC[N+]1=CC=CC=C1 |
Product Overview
1-(2-Propyn-1-yl)pyridinium (CAS 45705-44-0), with molecular formula C8H8N+ and molecular weight 118.07 g/mol. IUPAC: 1-prop-2-ynylpyridin-1-ium.
Chemical Property Profile of 1-(2-Propyn-1-yl)pyridinium
Property Insights of 1-(2-Propyn-1-yl)pyridinium
The XLogP value of 0.6073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Propyn-1-yl)pyridinium. With a topological polar surface area (TPSA) of 3.88 Ų, 1-(2-Propyn-1-yl)pyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Propyn-1-yl)pyridinium has 0 hydrogen bond donor(s) and 0 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-(2-Propyn-1-yl)pyridinium?
The CAS number of 1-(2-Propyn-1-yl)pyridinium is 45705-44-0.
What is the molecular formula of 1-(2-Propyn-1-yl)pyridinium?
The molecular formula of 1-(2-Propyn-1-yl)pyridinium is C8H8N+.
What is the molecular weight of 1-(2-Propyn-1-yl)pyridinium?
The molecular weight of 1-(2-Propyn-1-yl)pyridinium is 118.07 g/mol.
Where can I buy 1-(2-Propyn-1-yl)pyridinium?
You can request a quote for 1-(2-Propyn-1-yl)pyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Propyn-1-yl)pyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Propyn-1-yl)pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.