2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 2-(methylthio)nicotinate
TL;DR: 2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 2-(methylthio)nicotinate (CAS 475055-40-4) is a chemical compound with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0003168, 2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 2-(methylthio)nicotinate, [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate, [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate, 2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C18H18N2O3S |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 2.5452 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.10382 |
| Heavy Atoms | 24 |
| Complexity | 763.434 |
Chemical Identifiers
| CAS Number | 475055-40-4 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2 |
Product Overview
2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 2-(methylthio)nicotinate (CAS 475055-40-4), with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol. IUPAC: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of 2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 2-(methylthio)nicotinate
Property Insights of 2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 2-(methylthio)nicotinate
The XLogP value of 2.5452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 2-(methylthio)nicotinate. With a topological polar surface area (TPSA) of 59.5 Ų, 2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 2-(methylthio)nicotinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-Dihydroisoquinolin-2(1H)-yl)-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-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 2-(methylthio)nicotinate?
The CAS number of 2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 2-(methylthio)nicotinate is 475055-40-4.
What is the molecular formula of 2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular formula of 2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 2-(methylthio)nicotinate is C18H18N2O3S.
What is the molecular weight of 2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 2-(methylthio)nicotinate?
The molecular weight of 2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 2-(methylthio)nicotinate is 342.10 g/mol.
Where can I buy 2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 2-(methylthio)nicotinate?
You can request a quote for 2-(3,4-Dihydroisoquinolin-2(1H)-yl)-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-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-oxoethyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.