2-((2-Bromo-4-methylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
TL;DR: 2-((2-Bromo-4-methylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 561002-20-8) is a chemical compound with molecular formula C16H15BrN2O3S and molecular weight 394.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0004236, AB00720357-01, 2-((2-Bromo-4-methylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate, [(2-bromo-4-methylphenyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate, [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
| Molecular Formula | C16H15BrN2O3S |
|---|---|
| Molecular Weight | 394.00 g/mol |
| LogP | 3.66992 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.9987 |
| Heavy Atoms | 23 |
| Complexity | 737.0153 |
Chemical Identifiers
| CAS Number | 561002-20-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC)Br |
Product Overview
2-((2-Bromo-4-methylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 561002-20-8), with molecular formula C16H15BrN2O3S and molecular weight 394.00 g/mol. IUPAC: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of 2-((2-Bromo-4-methylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
Property Insights of 2-((2-Bromo-4-methylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
The XLogP value of 3.66992 indicates that 2-((2-Bromo-4-methylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Bromo-4-methylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate. Following Lipinski's Rule of Five, 2-((2-Bromo-4-methylphenyl)amino)-2-oxoethyl 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-((2-Bromo-4-methylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
The CAS number of 2-((2-Bromo-4-methylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is 561002-20-8.
What is the molecular formula of 2-((2-Bromo-4-methylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular formula of 2-((2-Bromo-4-methylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is C16H15BrN2O3S.
What is the molecular weight of 2-((2-Bromo-4-methylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular weight of 2-((2-Bromo-4-methylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is 394.00 g/mol.
Where can I buy 2-((2-Bromo-4-methylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
You can request a quote for 2-((2-Bromo-4-methylphenyl)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-Bromo-4-methylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Bromo-4-methylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.