2-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
TL;DR: 2-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 878581-14-7) is a chemical compound with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-methoxyanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0007818, AB00748774-01, 2-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate, [(2-methoxyphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate, [2-(2-methoxyanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
| Molecular Formula | C16H16N2O4S |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | 2.6076 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.08307 |
| Heavy Atoms | 23 |
| Complexity | 705.9845 |
Chemical Identifiers
| CAS Number | 878581-14-7 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)COC(=O)C2=C(N=CC=C2)SC |
Product Overview
2-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 878581-14-7), with molecular formula C16H16N2O4S and molecular weight 332.08 g/mol. IUPAC: [2-(2-methoxyanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of 2-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
Property Insights of 2-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
The XLogP value of 2.6076 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate. Following Lipinski's Rule of Five, 2-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate has 1 hydrogen bond donor(s) and 6 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-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
The CAS number of 2-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is 878581-14-7.
What is the molecular formula of 2-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular formula of 2-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is C16H16N2O4S.
What is the molecular weight of 2-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular weight of 2-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is 332.08 g/mol.
Where can I buy 2-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
You can request a quote for 2-((2-Methoxyphenyl)amino)-2-oxoethyl 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-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Methoxyphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.