Ethyl 5-(2-phenyleth-1-ynyl)nicotinate
TL;DR: Ethyl 5-(2-phenyleth-1-ynyl)nicotinate (CAS 175203-65-3) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(2-phenylethynyl)pyridine-3-carboxylate
Also Known As: ethyl 5-(2-phenyleth-1-ynyl)nicotinate, Maybridge1_005055, Ethyl 5-(phenylethynyl)nicotinate, ethyl 5-(2-phenylethynyl)pyridine-3-carboxylate, 5-phenylethynyl-nicotinic acid ethyl ester
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 2.6581 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 623.9423 |
Chemical Identifiers
| CAS Number | 175203-65-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=CC(=C1)C#CC2=CC=CC=C2 |
Product Overview
Ethyl 5-(2-phenyleth-1-ynyl)nicotinate (CAS 175203-65-3), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: ethyl 5-(2-phenylethynyl)pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-(2-phenyleth-1-ynyl)nicotinate
Property Insights of Ethyl 5-(2-phenyleth-1-ynyl)nicotinate
The XLogP value of 2.6581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(2-phenyleth-1-ynyl)nicotinate. With a topological polar surface area (TPSA) of 39.19 Ų, Ethyl 5-(2-phenyleth-1-ynyl)nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-(2-phenyleth-1-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 Ethyl 5-(2-phenyleth-1-ynyl)nicotinate?
The CAS number of Ethyl 5-(2-phenyleth-1-ynyl)nicotinate is 175203-65-3.
What is the molecular formula of Ethyl 5-(2-phenyleth-1-ynyl)nicotinate?
The molecular formula of Ethyl 5-(2-phenyleth-1-ynyl)nicotinate is C16H13NO2.
What is the molecular weight of Ethyl 5-(2-phenyleth-1-ynyl)nicotinate?
The molecular weight of Ethyl 5-(2-phenyleth-1-ynyl)nicotinate is 251.09 g/mol.
Where can I buy Ethyl 5-(2-phenyleth-1-ynyl)nicotinate?
You can request a quote for Ethyl 5-(2-phenyleth-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-(2-phenyleth-1-ynyl)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(2-phenyleth-1-ynyl)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.