![Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester structure](/static/products/327/327170-84-3.png)
Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester
TL;DR: Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester (CAS 327170-84-3) is a chemical compound with molecular formula C24H31NO6S2 and molecular weight 493.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate
Also Known As: Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester, O-ethyl [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate, S-(2-(1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl) O-ethyl carbonodithioate, S-{2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxoethyl} O-ethyl carbonodithioate
| Molecular Formula | C24H31NO6S2 |
|---|---|
| Molecular Weight | 493.16 g/mol |
| LogP | 3.7586 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.15927 |
| Heavy Atoms | 33 |
| Complexity | 940.518 |
Chemical Identifiers
| CAS Number | 327170-84-3 |
|---|---|
| SMILES | CCOC(=S)SCC(=O)N1CCC2=CC(=C(C=C2C1C3C(=O)CC(CC3=O)(C)C)OC)OC |
Product Overview
Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester (CAS 327170-84-3), with molecular formula C24H31NO6S2 and molecular weight 493.16 g/mol. IUPAC: O-ethyl [2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate.
Chemical Property Profile of Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester
Property Insights of Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester
The XLogP value of 3.7586 indicates that Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester. Following Lipinski's Rule of Five, Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester has 0 hydrogen bond donor(s) and 8 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 Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester?
The CAS number of Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester is 327170-84-3.
What is the molecular formula of Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester?
The molecular formula of Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester is C24H31NO6S2.
What is the molecular weight of Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester?
The molecular weight of Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester is 493.16 g/mol.
Where can I buy Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester?
You can request a quote for Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Dithiocarbonic acid {2-[1-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl} ester ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.