![O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate structure](/static/products/370/370077-56-8.png)
O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate
TL;DR: O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate (CAS 370077-56-8) is a chemical compound with molecular formula C22H27NO6S2 and molecular weight 465.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate
Also Known As: O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate, S-(2-(1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl) O-ethyl carbonodithioate
| Molecular Formula | C22H27NO6S2 |
|---|---|
| Molecular Weight | 465.13 g/mol |
| LogP | 3.1225 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.128 |
| Heavy Atoms | 31 |
| Complexity | 870.99725 |
Chemical Identifiers
| CAS Number | 370077-56-8 |
|---|---|
| SMILES | CCOC(=S)SCC(=O)N1CCC2=CC(=C(C=C2C1C3C(=O)CCCC3=O)OC)OC |
Product Overview
O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate (CAS 370077-56-8), with molecular formula C22H27NO6S2 and molecular weight 465.13 g/mol. IUPAC: O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate.
Chemical Property Profile of O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate
Property Insights of O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate
The XLogP value of 3.1225 indicates that O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate 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 O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate. Following Lipinski's Rule of Five, O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate 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 O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate?
The CAS number of O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate is 370077-56-8.
What is the molecular formula of O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate?
The molecular formula of O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate is C22H27NO6S2.
What is the molecular weight of O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate?
The molecular weight of O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate is 465.13 g/mol.
Where can I buy O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate?
You can request a quote for O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate?
Yes, KEHONG BIO provides custom synthesis services for O-ethyl [2-[1-(2,6-dioxocyclohexyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylmethanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.