Prop-2-ynyl nicotinate
TL;DR: Prop-2-ynyl nicotinate (CAS 24641-06-3) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl pyridine-3-carboxylate
Also Known As: Prop-2-ynyl nicotinate, propargyl nicotinate, Prop-2-yn-1-yl nicotinate, prop-2-ynyl pyridine-3-carboxylate, Prop-2-yn-1-ylnicotinate
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 0.8716 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 300.05463 |
Chemical Identifiers
| CAS Number | 24641-06-3 |
|---|---|
| SMILES | C#CCOC(=O)C1=CN=CC=C1 |
Product Overview
Prop-2-ynyl nicotinate (CAS 24641-06-3), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: prop-2-ynyl pyridine-3-carboxylate.
Chemical Property Profile of Prop-2-ynyl nicotinate
Property Insights of Prop-2-ynyl nicotinate
The XLogP value of 0.8716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-ynyl nicotinate. With a topological polar surface area (TPSA) of 39.19 Ų, Prop-2-ynyl nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-ynyl nicotinate 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 Prop-2-ynyl nicotinate?
The CAS number of Prop-2-ynyl nicotinate is 24641-06-3.
What is the molecular formula of Prop-2-ynyl nicotinate?
The molecular formula of Prop-2-ynyl nicotinate is C9H7NO2.
What is the molecular weight of Prop-2-ynyl nicotinate?
The molecular weight of Prop-2-ynyl nicotinate is 161.05 g/mol.
Where can I buy Prop-2-ynyl nicotinate?
You can request a quote for Prop-2-ynyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-2-ynyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-ynyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.