1-Prop-2-enylpyridin-1-ium
TL;DR: 1-Prop-2-enylpyridin-1-ium (CAS 45705-36-0) is a chemical compound with molecular formula C8H10N+ and molecular weight 120.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-enylpyridin-1-ium
Also Known As: 1-Allyl-pyridinium, 1-allylpyridinium, N-allyl pyridine ion, 1-(2-Propenyl)pyridinium, N-Allyl pyridinium bromide
| Molecular Formula | C8H10N+ |
|---|---|
| Molecular Weight | 120.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.08132 |
| Heavy Atoms | 9 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 45705-36-0 |
|---|---|
| SMILES | C=CC[N+]1=CC=CC=C1 |
| InChIKey | FOMKLSHJVADQBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Prop-2-enylpyridin-1-ium (CAS 45705-36-0), with molecular formula C8H10N+ and molecular weight 120.08 g/mol. IUPAC: 1-prop-2-enylpyridin-1-ium.
Chemical Property Profile of 1-Prop-2-enylpyridin-1-ium
Property Insights of 1-Prop-2-enylpyridin-1-ium
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Prop-2-enylpyridin-1-ium. With a topological polar surface area (TPSA) of 3.9 Ų, 1-Prop-2-enylpyridin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Prop-2-enylpyridin-1-ium 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-Prop-2-enylpyridin-1-ium?
The CAS number of 1-Prop-2-enylpyridin-1-ium is 45705-36-0.
What is the molecular formula of 1-Prop-2-enylpyridin-1-ium?
The molecular formula of 1-Prop-2-enylpyridin-1-ium is C8H10N+.
What is the molecular weight of 1-Prop-2-enylpyridin-1-ium?
The molecular weight of 1-Prop-2-enylpyridin-1-ium is 120.08 g/mol.
Where can I buy 1-Prop-2-enylpyridin-1-ium?
You can request a quote for 1-Prop-2-enylpyridin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Prop-2-enylpyridin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-Prop-2-enylpyridin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.