![[2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate structure](/static/products/370/370076-23-6.png)
[2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate
TL;DR: [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate (CAS 370076-23-6) is a chemical compound with molecular formula C26H34N2O5S2 and molecular weight 518.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate
Also Known As: [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate, 2-(1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl pyrrolidine-1-carbodithioate, 2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl pyrrolidine-1-carbodithioate
| Molecular Formula | C26H34N2O5S2 |
|---|---|
| Molecular Weight | 518.19 g/mol |
| LogP | 3.8179 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 518.1909 |
| Heavy Atoms | 35 |
| Complexity | 1014.81366 |
Chemical Identifiers
| CAS Number | 370076-23-6 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C2C3=CC(=C(C=C3CCN2C(=O)CSC(=S)N4CCCC4)OC)OC)C |
Product Overview
[2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate (CAS 370076-23-6), with molecular formula C26H34N2O5S2 and molecular weight 518.19 g/mol. IUPAC: [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate.
Chemical Property Profile of [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate
Property Insights of [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate
The XLogP value of 3.8179 indicates that [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate. Following Lipinski's Rule of Five, [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate?
The CAS number of [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate is 370076-23-6.
What is the molecular formula of [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate?
The molecular formula of [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate is C26H34N2O5S2.
What is the molecular weight of [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate?
The molecular weight of [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate is 518.19 g/mol.
Where can I buy [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate?
You can request a quote for [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] pyrrolidine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.