(Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone
TL;DR: (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone (CAS 892620-92-7) is a chemical compound with molecular formula C20H20N2O5 and molecular weight 368.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone
Also Known As: (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone, (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone, (2Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone, 2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(3-methyl-4-nitro-phenyl)ethanone
| Molecular Formula | C20H20N2O5 |
|---|---|
| Molecular Weight | 368.14 g/mol |
| LogP | 3.28992 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.1372 |
| Heavy Atoms | 27 |
| Complexity | 949.62854 |
Chemical Identifiers
| CAS Number | 892620-92-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)/C=C\2/C3=CC(=C(C=C3CCN2)OC)OC)[N+](=O)[O-] |
Product Overview
(Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone (CAS 892620-92-7), with molecular formula C20H20N2O5 and molecular weight 368.14 g/mol. IUPAC: (2Z)-2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone.
Chemical Property Profile of (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone
Property Insights of (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone
The XLogP value of 3.28992 indicates that (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone. Following Lipinski's Rule of Five, (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone has 1 hydrogen bond donor(s) and 6 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 (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone?
The CAS number of (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone is 892620-92-7.
What is the molecular formula of (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone?
The molecular formula of (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone is C20H20N2O5.
What is the molecular weight of (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone?
The molecular weight of (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone is 368.14 g/mol.
Where can I buy (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone?
You can request a quote for (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-1-(3-methyl-4-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.