![3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate structure](/static/products/861/86180-58-7.png)
3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate
TL;DR: 3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate (CAS 86180-58-7) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl 1-oxidopyridin-1-ium-3-carboxylate
Also Known As: 3-[(prop-2-ynyloxy)carbonyl]pyridinium-1-olate, 3-Pyridinecarboxylic acid, 2-propynyl ester, 1-oxide, prop-2-ynyl 1-oxidopyridin-1-ium-3-carboxylate, 3-[(prop-2-yn-1-yloxy)carbonyl]pyridin-1-ium-1-olate, Prop-2-yn-1-yl 1-oxo-1lambda~5~-pyridine-3-carboxylate
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 0.11 |
| Topological Polar Surface Area | 53.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 354.1226 |
Chemical Identifiers
| CAS Number | 86180-58-7 |
|---|---|
| SMILES | C#CCOC(=O)C1=C[N+](=CC=C1)[O-] |
Product Overview
3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate (CAS 86180-58-7), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: prop-2-ynyl 1-oxidopyridin-1-ium-3-carboxylate.
Chemical Property Profile of 3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate
Property Insights of 3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate
The XLogP value of 0.11 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate. With a topological polar surface area (TPSA) of 53.24 Ų, 3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate has 0 hydrogen bond donor(s) and 3 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 3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate?
The CAS number of 3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate is 86180-58-7.
What is the molecular formula of 3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate?
The molecular formula of 3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate is C9H7NO3.
What is the molecular weight of 3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate?
The molecular weight of 3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate is 177.04 g/mol.
Where can I buy 3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate?
You can request a quote for 3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Prop-2-ynyloxy)carbonyl]pyridinium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.