2-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
TL;DR: 2-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 722490-33-7) is a chemical compound with molecular formula C18H20N2O3S and molecular weight 344.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0003263, AB00716474-01, 2-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate, [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylsulfanylpyridine-3-carboxylate, [phenyl(propan-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C18H20N2O3S |
|---|---|
| Molecular Weight | 344.12 g/mol |
| LogP | 3.4019 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.11948 |
| Heavy Atoms | 24 |
| Complexity | 704.41986 |
Chemical Identifiers
| CAS Number | 722490-33-7 |
|---|---|
| SMILES | CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2=C(N=CC=C2)SC |
Product Overview
2-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 722490-33-7), with molecular formula C18H20N2O3S and molecular weight 344.12 g/mol. IUPAC: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of 2-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
Property Insights of 2-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
The XLogP value of 3.4019 indicates that 2-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.5 Ų, 2-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate has 0 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-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
The CAS number of 2-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is 722490-33-7.
What is the molecular formula of 2-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular formula of 2-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is C18H20N2O3S.
What is the molecular weight of 2-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular weight of 2-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is 344.12 g/mol.
Where can I buy 2-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
You can request a quote for 2-(Isopropyl(phenyl)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-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isopropyl(phenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.