2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate
TL;DR: 2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate (CAS 380197-83-1) is a chemical compound with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(1-phenylethylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0002217, 2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate, [(1-phenylethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate, [2-oxo-2-(1-phenylethylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate
| Molecular Formula | C17H18N2O3S |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 2.8377 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.10382 |
| Heavy Atoms | 23 |
| Complexity | 676.5485 |
Chemical Identifiers
| CAS Number | 380197-83-1 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC |
Product Overview
2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate (CAS 380197-83-1), with molecular formula C17H18N2O3S and molecular weight 330.10 g/mol. IUPAC: [2-oxo-2-(1-phenylethylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of 2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate
Property Insights of 2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate
The XLogP value of 2.8377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate. Following Lipinski's Rule of Five, 2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate has 1 hydrogen bond donor(s) and 5 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 2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate?
The CAS number of 2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate is 380197-83-1.
What is the molecular formula of 2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate?
The molecular formula of 2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate is C17H18N2O3S.
What is the molecular weight of 2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate?
The molecular weight of 2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate is 330.10 g/mol.
Where can I buy 2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate?
You can request a quote for 2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-((1-phenylethyl)amino)ethyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.