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Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate
TL;DR: Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate (CAS 175203-71-1) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[3-(dimethylamino)prop-1-ynyl]pyridine-3-carboxylate
Also Known As: ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate, BUTTPARK 95\04-05, ethyl 5-[3-(dimethylamino)prop-1-ynyl]pyridine-3-carboxylate, ethyl 5-[3-(dimethylamino)prop-1-yn-1-yl]pyridine-3-carboxylate, Ethyl 5-(3-(dimethylamino)prop-1-yn-1-yl)nicotinate
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 1.1714 |
| Topological Polar Surface Area | 42.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 444.22296 |
Chemical Identifiers
| CAS Number | 175203-71-1 |
|---|---|
| SMILES | CCOC(=O)C1=CN=CC(=C1)C#CCN(C)C |
Product Overview
Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate (CAS 175203-71-1), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: ethyl 5-[3-(dimethylamino)prop-1-ynyl]pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate
Property Insights of Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate
The XLogP value of 1.1714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate. With a topological polar surface area (TPSA) of 42.43 Ų, Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate has 0 hydrogen bond donor(s) and 4 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 Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate?
The CAS number of Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate is 175203-71-1.
What is the molecular formula of Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate?
The molecular formula of Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate is C13H16N2O2.
What is the molecular weight of Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate?
The molecular weight of Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate is 232.12 g/mol.
Where can I buy Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate?
You can request a quote for Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-[3-(dimethylamino)prop-1-ynyl]nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.