2-((2,6-Diisopropylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
TL;DR: 2-((2,6-Diisopropylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 723325-66-4) is a chemical compound with molecular formula C21H26N2O3S and molecular weight 386.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0007066, AB00716448-01, 2-((2,6-Diisopropylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate, [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate, {[2,6-bis(propan-2-yl)phenyl]carbamoyl}methyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C21H26N2O3S |
|---|---|
| Molecular Weight | 386.17 g/mol |
| LogP | 4.8458 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.1664 |
| Heavy Atoms | 27 |
| Complexity | 792.57404 |
Chemical Identifiers
| CAS Number | 723325-66-4 |
|---|---|
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=C(N=CC=C2)SC |
Product Overview
2-((2,6-Diisopropylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate (CAS 723325-66-4), with molecular formula C21H26N2O3S and molecular weight 386.17 g/mol. IUPAC: [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of 2-((2,6-Diisopropylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
Property Insights of 2-((2,6-Diisopropylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate
The XLogP value of 4.8458 indicates that 2-((2,6-Diisopropylphenyl)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-((2,6-Diisopropylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate. Following Lipinski's Rule of Five, 2-((2,6-Diisopropylphenyl)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-((2,6-Diisopropylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
The CAS number of 2-((2,6-Diisopropylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is 723325-66-4.
What is the molecular formula of 2-((2,6-Diisopropylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular formula of 2-((2,6-Diisopropylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is C21H26N2O3S.
What is the molecular weight of 2-((2,6-Diisopropylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular weight of 2-((2,6-Diisopropylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate is 386.17 g/mol.
Where can I buy 2-((2,6-Diisopropylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
You can request a quote for 2-((2,6-Diisopropylphenyl)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-((2,6-Diisopropylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,6-Diisopropylphenyl)amino)-2-oxoethyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.