2-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
TL;DR: 2-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 519153-24-3) is a chemical compound with molecular formula C17H17N3O4S and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-acetamidoanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0003428, 2-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate, [2-(4-acetamidoanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate, [(4-acetamidophenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C17H17N3O4S |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 2.5574 |
| Topological Polar Surface Area | 97.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.09396 |
| Heavy Atoms | 25 |
| Complexity | 777.71735 |
Chemical Identifiers
| CAS Number | 519153-24-3 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC |
Product Overview
2-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 519153-24-3), with molecular formula C17H17N3O4S and molecular weight 359.09 g/mol. IUPAC: [2-(4-acetamidoanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of 2-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
Property Insights of 2-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
The XLogP value of 2.5574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate. The TPSA of 97.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate. Following Lipinski's Rule of Five, 2-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate has 2 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-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
The CAS number of 2-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is 519153-24-3.
What is the molecular formula of 2-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular formula of 2-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is C17H17N3O4S.
What is the molecular weight of 2-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular weight of 2-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is 359.09 g/mol.
Where can I buy 2-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
You can request a quote for 2-((4-Acetamidophenyl)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-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Acetamidophenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.